smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC(CO)=CC2=C3CC=CC4=[NH+]C=C(C[C@H]21)C43 ZINC001560407650 960942126 /nfs/dbraw/zinc/94/21/26/960942126.db2.gz YHQZHFIZJZQLKP-OAHLLOKOSA-N 2 2 253.325 1.435 40 0 CDABLP C[N@H+]1CC(CO)=CC2=C3CC=CC4=[NH+]C=C(C[C@H]21)C43 ZINC001560407650 960942137 /nfs/dbraw/zinc/94/21/37/960942137.db2.gz YHQZHFIZJZQLKP-OAHLLOKOSA-N 2 2 253.325 1.435 40 0 CDABLP COC[C@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)[N@@H+]1C ZINC000096207465 358720651 /nfs/dbraw/zinc/72/06/51/358720651.db2.gz OLRQZFOOZLOHFP-OAHLLOKOSA-N 2 2 292.427 1.495 40 0 CDABLP COC[C@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)[N@H+]1C ZINC000096207465 358720655 /nfs/dbraw/zinc/72/06/55/358720655.db2.gz OLRQZFOOZLOHFP-OAHLLOKOSA-N 2 2 292.427 1.495 40 0 CDABLP Cc1cc(Nc2cc(NC3CC[NH2+]CC3)[nH+]c(C)n2)n[nH]1 ZINC000257284846 190026580 /nfs/dbraw/zinc/02/65/80/190026580.db2.gz PENTYLDIURQWTE-UHFFFAOYSA-N 2 2 287.371 1.724 40 0 CDABLP Cn1c[nH+]cc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257307428 190031466 /nfs/dbraw/zinc/03/14/66/190031466.db2.gz SYPALGHNKHXJQZ-HNNXBMFYSA-N 2 2 256.353 1.567 40 0 CDABLP Cn1cc[nH+]c1CNc1cnc([C@H]2CCC[NH2+]C2)cn1 ZINC000072386932 176392474 /nfs/dbraw/zinc/39/24/74/176392474.db2.gz OTZGADYOMJSCBQ-NSHDSACASA-N 2 2 272.356 1.289 40 0 CDABLP CN(C[C@H]1CCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411450 356994272 /nfs/dbraw/zinc/99/42/72/356994272.db2.gz ZPTUJXHLUOJBQR-OAHLLOKOSA-N 2 2 291.395 1.678 40 0 CDABLP CN(C[C@H]1CCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411450 356994277 /nfs/dbraw/zinc/99/42/77/356994277.db2.gz ZPTUJXHLUOJBQR-OAHLLOKOSA-N 2 2 291.395 1.678 40 0 CDABLP CC(C)C[NH+]1CC2(C1)C[N@H+](CC(C)C)C[C@H]1C[C@@H](O)CN12 ZINC000514290055 360126484 /nfs/dbraw/zinc/12/64/84/360126484.db2.gz SCZWLYRQCAFKJC-HZPDHXFCSA-N 2 2 295.471 1.104 40 0 biogenic,in-vitro CDABLP CC(C)C[NH+]1CC2(C1)C[N@@H+](CC(C)C)C[C@H]1C[C@@H](O)CN12 ZINC000514290055 360126486 /nfs/dbraw/zinc/12/64/86/360126486.db2.gz SCZWLYRQCAFKJC-HZPDHXFCSA-N 2 2 295.471 1.104 40 0 biogenic,in-vitro CDABLP Cc1cc(N2CCC[C@](O)(C[NH3+])C2)c2cnccc2[nH+]1 ZINC000257242854 291936240 /nfs/dbraw/zinc/93/62/40/291936240.db2.gz IELZJQAXHRGLIL-HNNXBMFYSA-N 2 2 272.352 1.228 40 0 CDABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(Br)cc1 ZINC000022074973 171352209 /nfs/dbraw/zinc/35/22/09/171352209.db2.gz YDAVAFKRNPDFRB-JTQLQIEISA-N 2 2 287.201 1.509 40 0 CDABLP CCc1[nH+]ccn1-c1nccnc1C1CC[NH2+]CC1 ZINC000072348378 176373171 /nfs/dbraw/zinc/37/31/71/176373171.db2.gz MKCPCSSTMBLECQ-UHFFFAOYSA-N 2 2 257.341 1.692 40 0 CDABLP Cn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)cn1 ZINC000205697668 348744000 /nfs/dbraw/zinc/74/40/00/348744000.db2.gz RYFIFVVTBLSBBL-CQSZACIVSA-N 2 2 250.390 1.726 40 0 CDABLP Cn1cc(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)cn1 ZINC000205697668 348744001 /nfs/dbraw/zinc/74/40/01/348744001.db2.gz RYFIFVVTBLSBBL-CQSZACIVSA-N 2 2 250.390 1.726 40 0 CDABLP COc1ccc(C[NH+]2CCC3(CC2)COCC[N@H+]3C)cn1 ZINC000096226152 358723381 /nfs/dbraw/zinc/72/33/81/358723381.db2.gz OPCYCZSUSACCGR-UHFFFAOYSA-N 2 2 291.395 1.387 40 0 CDABLP Cc1nnc([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000049169223 373981914 /nfs/dbraw/zinc/98/19/14/373981914.db2.gz JXYUECPMMMGEBJ-NSHDSACASA-N 2 2 250.346 1.262 40 0 biogenic,in-vitro CDABLP Cc1nnc([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000049169223 373981918 /nfs/dbraw/zinc/98/19/18/373981918.db2.gz JXYUECPMMMGEBJ-NSHDSACASA-N 2 2 250.346 1.262 40 0 biogenic,in-vitro CDABLP COC(C[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1)OC ZINC000225450917 374427713 /nfs/dbraw/zinc/42/77/13/374427713.db2.gz VPPVVQFHXYOCGE-GFCCVEGCSA-N 2 2 256.390 1.554 40 0 CDABLP COC(C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1)OC ZINC000225450917 374427718 /nfs/dbraw/zinc/42/77/18/374427718.db2.gz VPPVVQFHXYOCGE-GFCCVEGCSA-N 2 2 256.390 1.554 40 0 CDABLP CNc1cc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)cc[nH+]1 ZINC000257206197 190011620 /nfs/dbraw/zinc/01/16/20/190011620.db2.gz BCGQIAXBMAVGFI-ZDUSSCGKSA-N 2 2 276.384 1.391 40 0 CDABLP Cc1c[nH]c([C@@H]2CCC[N@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257264973 190022852 /nfs/dbraw/zinc/02/28/52/190022852.db2.gz LWUIVDZUMXJFIA-CYBMUJFWSA-N 2 2 279.384 1.439 40 0 CDABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257264973 190022853 /nfs/dbraw/zinc/02/28/53/190022853.db2.gz LWUIVDZUMXJFIA-CYBMUJFWSA-N 2 2 279.384 1.439 40 0 CDABLP CCc1[nH+]ccn1-c1cncc(C2CC[NH2+]CC2)n1 ZINC000072355923 176375733 /nfs/dbraw/zinc/37/57/33/176375733.db2.gz RKVWRNCEVSABFX-UHFFFAOYSA-N 2 2 257.341 1.692 40 0 CDABLP CC[NH+](CC)[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H]2CCCO[C@H]12 ZINC000096185777 358714091 /nfs/dbraw/zinc/71/40/91/358714091.db2.gz UWYAHQSYUOKUBW-FMKPAKJESA-N 2 2 292.427 1.494 40 0 CDABLP C[NH+]1CCC(NC(=S)Nc2cc[nH+]cc2)CC1 ZINC000225800600 359617554 /nfs/dbraw/zinc/61/75/54/359617554.db2.gz XJDNZOALBOWTSS-UHFFFAOYSA-N 2 2 250.371 1.462 40 0 CDABLP Cn1cc[nH+]c1CNc1cnc([C@@H]2CCC[NH2+]C2)cn1 ZINC000072386931 176392665 /nfs/dbraw/zinc/39/26/65/176392665.db2.gz OTZGADYOMJSCBQ-LLVKDONJSA-N 2 2 272.356 1.289 40 0 CDABLP C[N@H+](CC[NH3+])[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079390949 356988277 /nfs/dbraw/zinc/98/82/77/356988277.db2.gz HSKAPJWLYWCIGA-OAHLLOKOSA-N 2 2 291.395 1.678 40 0 CDABLP C[N@@H+](CC[NH3+])[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079390949 356988280 /nfs/dbraw/zinc/98/82/80/356988280.db2.gz HSKAPJWLYWCIGA-OAHLLOKOSA-N 2 2 291.395 1.678 40 0 CDABLP Cc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)nc(C)[nH+]1 ZINC000072368037 357830609 /nfs/dbraw/zinc/83/06/09/357830609.db2.gz HFOTXEOBGJEETR-UHFFFAOYSA-N 2 2 286.383 1.149 40 0 CDABLP c1ccc(Nc2cc(N3CC[NH2+]CC3)nc[nH+]2)cc1 ZINC000026442179 358763221 /nfs/dbraw/zinc/76/32/21/358763221.db2.gz CKAOROPICIJWOS-UHFFFAOYSA-N 2 2 255.325 1.630 40 0 CDABLP Cc1cc(N2CC[NH+](C(C)C)CC2)[nH+]cc1CCO ZINC000072223720 390624042 /nfs/dbraw/zinc/62/40/42/390624042.db2.gz KBRRTSOAUCFOMF-UHFFFAOYSA-N 2 2 263.385 1.455 40 0 CDABLP CC[N@@H+]1CCC[C@](O)(C[NH2+]Cc2ccccc2F)C1 ZINC000046087886 175392543 /nfs/dbraw/zinc/39/25/43/175392543.db2.gz RPSNYSMNORUSSR-HNNXBMFYSA-N 2 2 266.360 1.762 40 0 CDABLP CC[N@H+]1CCC[C@](O)(C[NH2+]Cc2ccccc2F)C1 ZINC000046087886 175392544 /nfs/dbraw/zinc/39/25/44/175392544.db2.gz RPSNYSMNORUSSR-HNNXBMFYSA-N 2 2 266.360 1.762 40 0 CDABLP FC1(F)CC[NH2+]C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096239808 265346125 /nfs/dbraw/zinc/34/61/25/265346125.db2.gz APBWPTYMNXLBPL-LBPRGKRZSA-N 2 2 253.296 1.907 40 0 CDABLP CCN(C[C@@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408472 356992223 /nfs/dbraw/zinc/99/22/23/356992223.db2.gz JIPNMEKCUCIOFP-CYBMUJFWSA-N 2 2 285.432 1.914 40 0 CDABLP CCN(C[C@@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408472 356992225 /nfs/dbraw/zinc/99/22/25/356992225.db2.gz JIPNMEKCUCIOFP-CYBMUJFWSA-N 2 2 285.432 1.914 40 0 CDABLP c1cn(Cc2noc3c2C[N@@H+]([C@H]2CCOC2)CC3)c[nH+]1 ZINC000096259771 358729458 /nfs/dbraw/zinc/72/94/58/358729458.db2.gz NASHRLFBXWKQRW-NSHDSACASA-N 2 2 274.324 1.066 40 0 CDABLP c1cn(Cc2noc3c2C[N@H+]([C@H]2CCOC2)CC3)c[nH+]1 ZINC000096259771 358729459 /nfs/dbraw/zinc/72/94/59/358729459.db2.gz NASHRLFBXWKQRW-NSHDSACASA-N 2 2 274.324 1.066 40 0 CDABLP Cn1cc[nH+]c1CNC(=O)c1cc([C@@H]2CCC[NH2+]2)ccn1 ZINC000072365714 176380929 /nfs/dbraw/zinc/38/09/29/176380929.db2.gz NNPYEBUAVOANIG-LBPRGKRZSA-N 2 2 285.351 1.170 40 0 CDABLP c1cncc(C[N@@H+]2CCn3c(C[NH+]4CCCC4)nnc3C2)c1 ZINC000096084940 185092598 /nfs/dbraw/zinc/09/25/98/185092598.db2.gz NIDWADZPWGBAMA-UHFFFAOYSA-N 2 2 298.394 1.285 40 0 CDABLP c1cncc(C[N@H+]2CCn3c(C[NH+]4CCCC4)nnc3C2)c1 ZINC000096084940 185092599 /nfs/dbraw/zinc/09/25/99/185092599.db2.gz NIDWADZPWGBAMA-UHFFFAOYSA-N 2 2 298.394 1.285 40 0 CDABLP O=C(C[NH+]1CCCC1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257221881 362577819 /nfs/dbraw/zinc/57/78/19/362577819.db2.gz DQYAJNDTKHQGOE-CQSZACIVSA-N 2 2 288.395 1.262 40 0 CDABLP C[C@@H]1C[C@H]([NH2+]Cc2nncn2-c2ccccc2)CC[N@@H+]1C ZINC000152621672 188032435 /nfs/dbraw/zinc/03/24/35/188032435.db2.gz BNZSPDSGMKDABE-ZIAGYGMSSA-N 2 2 285.395 1.840 40 0 CDABLP C[C@@H]1C[C@H]([NH2+]Cc2nncn2-c2ccccc2)CC[N@H+]1C ZINC000152621672 188032437 /nfs/dbraw/zinc/03/24/37/188032437.db2.gz BNZSPDSGMKDABE-ZIAGYGMSSA-N 2 2 285.395 1.840 40 0 CDABLP Cc1[nH+]cc(-c2cc([C@H]3CC[NH2+]C3)nc(C)n2)n1C ZINC000257256381 190021497 /nfs/dbraw/zinc/02/14/97/190021497.db2.gz KLFLNFBPYQKGBN-NSHDSACASA-N 2 2 257.341 1.571 40 0 CDABLP Cc1cc(N2CCC[C@@](O)(C[NH3+])C2)c2cnccc2[nH+]1 ZINC000257242855 392978482 /nfs/dbraw/zinc/97/84/82/392978482.db2.gz IELZJQAXHRGLIL-OAHLLOKOSA-N 2 2 272.352 1.228 40 0 CDABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000072380742 176387274 /nfs/dbraw/zinc/38/72/74/176387274.db2.gz BPWCPVVNDIOADU-LLVKDONJSA-N 2 2 257.341 1.692 40 0 CDABLP C[C@@]1(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)CCC[NH2+]C1 ZINC000904378750 626275639 /nfs/dbraw/zinc/27/56/39/626275639.db2.gz KAGSLLNOMCXOJT-QGZVFWFLSA-N 2 2 287.407 1.533 40 0 CDABLP C[C@@]1(C[N@H+]2CCc3c(cccc3C(N)=O)C2)CCC[NH2+]C1 ZINC000904378750 626275640 /nfs/dbraw/zinc/27/56/40/626275640.db2.gz KAGSLLNOMCXOJT-QGZVFWFLSA-N 2 2 287.407 1.533 40 0 CDABLP CN(C)C(=O)C[N@@H+]1CCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096077976 185089778 /nfs/dbraw/zinc/08/97/78/185089778.db2.gz QYFWYAMUZCMPQG-UHFFFAOYSA-N 2 2 291.395 1.408 40 0 CDABLP CN(C)C(=O)C[N@H+]1CCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096077976 185089780 /nfs/dbraw/zinc/08/97/80/185089780.db2.gz QYFWYAMUZCMPQG-UHFFFAOYSA-N 2 2 291.395 1.408 40 0 CDABLP OCC[NH2+]CC[NH2+]Cc1ccc(Br)cc1 ZINC000023263537 356639221 /nfs/dbraw/zinc/63/92/21/356639221.db2.gz DCBFMNCHYYKNSK-UHFFFAOYSA-N 2 2 273.174 1.121 40 0 CDABLP [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000238049932 360710785 /nfs/dbraw/zinc/71/07/85/360710785.db2.gz IKSCGTWUIKLIEA-OAHLLOKOSA-N 2 2 284.363 1.495 40 0 CDABLP Cc1cc(C)nc([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257325621 190034444 /nfs/dbraw/zinc/03/44/44/190034444.db2.gz WTSOFSBVTPHCIC-CQSZACIVSA-N 2 2 274.412 1.977 40 0 CDABLP Cc1cc(C)nc([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257325621 190034445 /nfs/dbraw/zinc/03/44/45/190034445.db2.gz WTSOFSBVTPHCIC-CQSZACIVSA-N 2 2 274.412 1.977 40 0 CDABLP Cn1cc[nH+]c1CN1CC[C@]2(CC[N@@H+]2CC2CC2)C1 ZINC000096075979 185089598 /nfs/dbraw/zinc/08/95/98/185089598.db2.gz FEUCKHMQSMPEEL-HNNXBMFYSA-N 2 2 260.385 1.480 40 0 CDABLP Cn1cc[nH+]c1CN1CC[C@]2(CC[N@H+]2CC2CC2)C1 ZINC000096075979 185089599 /nfs/dbraw/zinc/08/95/99/185089599.db2.gz FEUCKHMQSMPEEL-HNNXBMFYSA-N 2 2 260.385 1.480 40 0 CDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(CC2CCOCC2)C1 ZINC000096059190 282141147 /nfs/dbraw/zinc/14/11/47/282141147.db2.gz OVWLKNHCPWJCNN-OAHLLOKOSA-N 2 2 292.427 1.303 40 0 CDABLP C[NH+](C)C[C@H]1CN(C(=O)c2cccnc2)Cc2c[nH+]cn21 ZINC000248070908 362148674 /nfs/dbraw/zinc/14/86/74/362148674.db2.gz AVQCMTILDCYTMU-AWEZNQCLSA-N 2 2 285.351 1.037 40 0 CDABLP CC(C)(C)OC(=O)CC[NH2+]CCC[NH+]1CCOCC1 ZINC000047218963 357153839 /nfs/dbraw/zinc/15/38/39/357153839.db2.gz BAVNZGYYNQJDPV-UHFFFAOYSA-N 2 2 272.389 1.030 40 0 CDABLP CC[N@@H+]1CCC[C@@](O)(C[NH+](C)Cc2c(C)nn(C)c2C)C1 ZINC000046087876 175392485 /nfs/dbraw/zinc/39/24/85/175392485.db2.gz BJBNWJZNRGVTBX-MRXNPFEDSA-N 2 2 294.443 1.316 40 0 CDABLP CC[N@H+]1CCC[C@@](O)(C[NH+](C)Cc2c(C)nn(C)c2C)C1 ZINC000046087876 175392486 /nfs/dbraw/zinc/39/24/86/175392486.db2.gz BJBNWJZNRGVTBX-MRXNPFEDSA-N 2 2 294.443 1.316 40 0 CDABLP CC[NH+]1CCC[C@@](O)(C[N@H+](C)Cc2c(C)nn(C)c2C)C1 ZINC000046087876 175392488 /nfs/dbraw/zinc/39/24/88/175392488.db2.gz BJBNWJZNRGVTBX-MRXNPFEDSA-N 2 2 294.443 1.316 40 0 CDABLP CC[NH+]1CCC[C@@](O)(C[N@@H+](C)Cc2c(C)nn(C)c2C)C1 ZINC000046087876 175392489 /nfs/dbraw/zinc/39/24/89/175392489.db2.gz BJBNWJZNRGVTBX-MRXNPFEDSA-N 2 2 294.443 1.316 40 0 CDABLP FC1(F)CC[NH2+]C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096239825 265345652 /nfs/dbraw/zinc/34/56/52/265345652.db2.gz JMBCMQUCONSDMW-CYBMUJFWSA-N 2 2 267.323 1.902 40 0 CDABLP FC1(F)CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096239825 265345655 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COc1ccc(C)c2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000215238837 358880355 /nfs/dbraw/zinc/88/03/55/358880355.db2.gz JSJBDPBKIOOKRC-UHFFFAOYSA-N 2 2 257.337 1.961 40 0 CDABLP C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000331618081 204016039 /nfs/dbraw/zinc/01/60/39/204016039.db2.gz DXPAHJBLJYPFBN-ZDUSSCGKSA-N 2 2 298.390 1.815 40 0 CDABLP C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000331618081 204016043 /nfs/dbraw/zinc/01/60/43/204016043.db2.gz DXPAHJBLJYPFBN-ZDUSSCGKSA-N 2 2 298.390 1.815 40 0 CDABLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)CCN2C(C)(C)C1 ZINC000253407955 373708453 /nfs/dbraw/zinc/70/84/53/373708453.db2.gz WYFKYWURXVLRQY-OAHLLOKOSA-N 2 2 274.412 1.292 40 0 biogenic,in-vitro CDABLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)CCN2C(C)(C)C1 ZINC000253407955 373708458 /nfs/dbraw/zinc/70/84/58/373708458.db2.gz WYFKYWURXVLRQY-OAHLLOKOSA-N 2 2 274.412 1.292 40 0 biogenic,in-vitro CDABLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)CCN2C(C)(C)C1 ZINC000253407955 373708464 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ZINC000247354621 524522839 /nfs/dbraw/zinc/52/28/39/524522839.db2.gz HDCYVZHEHHPOQK-FVQBIDKESA-N 2 2 298.390 1.993 40 0 CDABLP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000064875924 374240643 /nfs/dbraw/zinc/24/06/43/374240643.db2.gz XDAXKENFTDFOCV-CQSZACIVSA-N 2 2 264.369 1.030 40 0 CDABLP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[NH2+]CC2)c1 ZINC000064875924 374240649 /nfs/dbraw/zinc/24/06/49/374240649.db2.gz XDAXKENFTDFOCV-CQSZACIVSA-N 2 2 264.369 1.030 40 0 CDABLP C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2c[nH+]c[nH]2)n1 ZINC000257222315 190014792 /nfs/dbraw/zinc/01/47/92/190014792.db2.gz DSVCLWFJZZECCD-AWEZNQCLSA-N 2 2 286.383 1.598 40 0 CDABLP Cn1c[nH+]cc1CN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257269747 190023913 /nfs/dbraw/zinc/02/39/13/190023913.db2.gz MRFFANLYMPYQSX-MRXNPFEDSA-N 2 2 270.380 1.909 40 0 CDABLP Cn1c[nH+]cc1CN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257269747 190023914 /nfs/dbraw/zinc/02/39/14/190023914.db2.gz MRFFANLYMPYQSX-MRXNPFEDSA-N 2 2 270.380 1.909 40 0 CDABLP CCc1[nH]c(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)c(C)[nH+]1 ZINC000257280997 190026086 /nfs/dbraw/zinc/02/60/86/190026086.db2.gz ONGDGZRCHGUCHP-AWEZNQCLSA-N 2 2 293.411 1.786 40 0 CDABLP Cc1n[nH]c(C)c1CCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000096523568 390536646 /nfs/dbraw/zinc/53/66/46/390536646.db2.gz GIMGLRMYAGDKJT-CYBMUJFWSA-N 2 2 250.390 1.772 40 0 CDABLP Cc1n[nH]c(C)c1CCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000096523568 390536649 /nfs/dbraw/zinc/53/66/49/390536649.db2.gz GIMGLRMYAGDKJT-CYBMUJFWSA-N 2 2 250.390 1.772 40 0 CDABLP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCc2ccccc21 ZINC000026439551 391105918 /nfs/dbraw/zinc/10/59/18/391105918.db2.gz RZFQQANCJYPVAM-ZDUSSCGKSA-N 2 2 275.396 1.506 40 0 CDABLP Cc1ccc(C(=O)N2Cc3c[nH+]cn3[C@H](C[NH+](C)C)C2)cn1 ZINC000248146947 292070714 /nfs/dbraw/zinc/07/07/14/292070714.db2.gz WBPZJJZHZQDRAK-OAHLLOKOSA-N 2 2 299.378 1.345 40 0 CDABLP c1cn(-c2cncc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)c[nH+]1 ZINC000072355619 176374769 /nfs/dbraw/zinc/37/47/69/176374769.db2.gz NSEAICKWZIWNCP-OAHLLOKOSA-N 2 2 299.378 1.978 40 0 CDABLP c1cn(-c2cncc([C@H]3CCC[N@H+]3C3CCOCC3)n2)c[nH+]1 ZINC000072355619 176374772 /nfs/dbraw/zinc/37/47/72/176374772.db2.gz NSEAICKWZIWNCP-OAHLLOKOSA-N 2 2 299.378 1.978 40 0 CDABLP C[NH+](C)CC(=O)N1CC2(CC[N@@H+]2Cc2ccsc2)C1 ZINC000096078754 185090372 /nfs/dbraw/zinc/09/03/72/185090372.db2.gz NGWGZMAZXXIORP-UHFFFAOYSA-N 2 2 279.409 1.096 40 0 CDABLP C[NH+](C)CC(=O)N1CC2(CC[N@H+]2Cc2ccsc2)C1 ZINC000096078754 185090373 /nfs/dbraw/zinc/09/03/73/185090373.db2.gz NGWGZMAZXXIORP-UHFFFAOYSA-N 2 2 279.409 1.096 40 0 CDABLP c1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc(NC2CC2)[nH+]1 ZINC000413053581 362752215 /nfs/dbraw/zinc/75/22/15/362752215.db2.gz NXOUYKDDFGPVBH-CYBMUJFWSA-N 2 2 273.384 1.725 40 0 CDABLP c1nc(N2CC[N@H+]3CCCC[C@@H]3C2)cc(NC2CC2)[nH+]1 ZINC000413053581 362752221 /nfs/dbraw/zinc/75/22/21/362752221.db2.gz NXOUYKDDFGPVBH-CYBMUJFWSA-N 2 2 273.384 1.725 40 0 CDABLP Cc1[nH]c(CN2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3C2)c[nH+]1 ZINC000108527710 186220676 /nfs/dbraw/zinc/22/06/76/186220676.db2.gz KMCMRYHXOACQNJ-HOTGVXAUSA-N 2 2 290.411 1.403 40 0 CDABLP Cc1[nH]c(CN2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)c[nH+]1 ZINC000108527710 186220678 /nfs/dbraw/zinc/22/06/78/186220678.db2.gz KMCMRYHXOACQNJ-HOTGVXAUSA-N 2 2 290.411 1.403 40 0 CDABLP Cc1[nH]cc(CN2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3C2)[nH+]1 ZINC000108527710 186220679 /nfs/dbraw/zinc/22/06/79/186220679.db2.gz KMCMRYHXOACQNJ-HOTGVXAUSA-N 2 2 290.411 1.403 40 0 CDABLP Cc1[nH]cc(CN2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)[nH+]1 ZINC000108527710 186220681 /nfs/dbraw/zinc/22/06/81/186220681.db2.gz KMCMRYHXOACQNJ-HOTGVXAUSA-N 2 2 290.411 1.403 40 0 CDABLP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000079408322 356992529 /nfs/dbraw/zinc/99/25/29/356992529.db2.gz QRXBZCGJELHJRT-NSHDSACASA-N 2 2 257.378 1.182 40 0 CDABLP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000079408322 356992534 /nfs/dbraw/zinc/99/25/34/356992534.db2.gz QRXBZCGJELHJRT-NSHDSACASA-N 2 2 257.378 1.182 40 0 CDABLP CC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC000096229353 358723565 /nfs/dbraw/zinc/72/35/65/358723565.db2.gz MFGDVESIWVXWKU-INIZCTEOSA-N 2 2 292.427 1.354 40 0 CDABLP CC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC000096229353 358723568 /nfs/dbraw/zinc/72/35/68/358723568.db2.gz MFGDVESIWVXWKU-INIZCTEOSA-N 2 2 292.427 1.354 40 0 CDABLP CC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC000096229353 358723571 /nfs/dbraw/zinc/72/35/71/358723571.db2.gz MFGDVESIWVXWKU-INIZCTEOSA-N 2 2 292.427 1.354 40 0 CDABLP CC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cnn(C)c3)C2)C1 ZINC000096229353 358723576 /nfs/dbraw/zinc/72/35/76/358723576.db2.gz MFGDVESIWVXWKU-INIZCTEOSA-N 2 2 292.427 1.354 40 0 CDABLP C[NH+](C)CCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062718499 364839839 /nfs/dbraw/zinc/83/98/39/364839839.db2.gz XPXNIJNFNODFOO-UHFFFAOYSA-N 2 2 263.389 1.118 40 0 CDABLP CC[N@@H+](CC(N)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108874 366983458 /nfs/dbraw/zinc/98/34/58/366983458.db2.gz RISXJRIMRWXIGS-UHFFFAOYSA-N 2 2 276.384 1.105 40 0 CDABLP CC[N@H+](CC(N)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108874 366983467 /nfs/dbraw/zinc/98/34/67/366983467.db2.gz RISXJRIMRWXIGS-UHFFFAOYSA-N 2 2 276.384 1.105 40 0 CDABLP COCCn1cc[nH+]c1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000306143000 374972592 /nfs/dbraw/zinc/97/25/92/374972592.db2.gz XQFLTAWPDZVZMP-CQSZACIVSA-N 2 2 257.337 1.765 40 0 CDABLP COc1ccccc1[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000257231693 190016189 /nfs/dbraw/zinc/01/61/89/190016189.db2.gz GHWKXSNRYJYXFQ-CQSZACIVSA-N 2 2 286.379 1.907 40 0 CDABLP COc1ccccc1[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000257231693 190016190 /nfs/dbraw/zinc/01/61/90/190016190.db2.gz GHWKXSNRYJYXFQ-CQSZACIVSA-N 2 2 286.379 1.907 40 0 CDABLP Cn1cncc1C[N@@H+]1CC[C@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257252054 190020181 /nfs/dbraw/zinc/02/01/81/190020181.db2.gz JTJKABXJHCMDOX-LBPRGKRZSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cncc1C[N@H+]1CC[C@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257252054 190020182 /nfs/dbraw/zinc/02/01/82/190020182.db2.gz JTJKABXJHCMDOX-LBPRGKRZSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cncc1C[N@@H+]1CC[C@H](c2nc(C[NH+](C)C)c[nH]2)C1 ZINC000257252054 190020183 /nfs/dbraw/zinc/02/01/83/190020183.db2.gz JTJKABXJHCMDOX-LBPRGKRZSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cncc1C[N@H+]1CC[C@H](c2nc(C[NH+](C)C)c[nH]2)C1 ZINC000257252054 190020184 /nfs/dbraw/zinc/02/01/84/190020184.db2.gz JTJKABXJHCMDOX-LBPRGKRZSA-N 2 2 288.399 1.194 40 0 CDABLP CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257298217 190029458 /nfs/dbraw/zinc/02/94/58/190029458.db2.gz RKRDSYRNYFEVNQ-CQSZACIVSA-N 2 2 290.411 1.908 40 0 CDABLP CC(=O)N1CCC([N@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257298217 190029459 /nfs/dbraw/zinc/02/94/59/190029459.db2.gz RKRDSYRNYFEVNQ-CQSZACIVSA-N 2 2 290.411 1.908 40 0 CDABLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC000063527144 378303818 /nfs/dbraw/zinc/30/38/18/378303818.db2.gz NQUOQZQZIHOLRM-DFBGVHRSSA-N 2 2 293.411 1.426 40 0 CDABLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC000063527144 378303821 /nfs/dbraw/zinc/30/38/21/378303821.db2.gz NQUOQZQZIHOLRM-DFBGVHRSSA-N 2 2 293.411 1.426 40 0 CDABLP Cc1noc(C)c1C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](C)O)C[C@@H]2C1 ZINC000063527144 378303825 /nfs/dbraw/zinc/30/38/25/378303825.db2.gz NQUOQZQZIHOLRM-DFBGVHRSSA-N 2 2 293.411 1.426 40 0 CDABLP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](C)O)C[C@@H]2C1 ZINC000063527144 378303829 /nfs/dbraw/zinc/30/38/29/378303829.db2.gz NQUOQZQZIHOLRM-DFBGVHRSSA-N 2 2 293.411 1.426 40 0 CDABLP CCOc1cccc(C[NH2+]CC[NH2+]C[C@H](C)O)c1 ZINC000022075984 171352316 /nfs/dbraw/zinc/35/23/16/171352316.db2.gz ZPYPXUZASQNTFV-LBPRGKRZSA-N 2 2 252.358 1.145 40 0 CDABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2CCO)n1 ZINC000072355673 176374848 /nfs/dbraw/zinc/37/48/48/176374848.db2.gz JZGYFRDFGQTCKH-CQSZACIVSA-N 2 2 286.379 1.959 40 0 CDABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2CCO)n1 ZINC000072355673 176374849 /nfs/dbraw/zinc/37/48/49/176374849.db2.gz JZGYFRDFGQTCKH-CQSZACIVSA-N 2 2 286.379 1.959 40 0 CDABLP CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378781 176385930 /nfs/dbraw/zinc/38/59/30/176385930.db2.gz NNUXZZGQPKKJNC-AWEZNQCLSA-N 2 2 299.378 1.492 40 0 CDABLP CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378781 176385932 /nfs/dbraw/zinc/38/59/32/176385932.db2.gz NNUXZZGQPKKJNC-AWEZNQCLSA-N 2 2 299.378 1.492 40 0 CDABLP C[C@H](C(=O)NCc1[nH]cc[nH+]1)[NH+]1CCCCCC1 ZINC000081385798 362211197 /nfs/dbraw/zinc/21/11/97/362211197.db2.gz CBCBLJNQLGJSTP-LLVKDONJSA-N 2 2 250.346 1.290 40 0 CDABLP Fc1cccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196260 186162555 /nfs/dbraw/zinc/16/25/55/186162555.db2.gz SDGGTUGKJUYFFV-UXLLHSPISA-N 2 2 290.382 1.978 40 0 CDABLP Fc1cccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196260 186162557 /nfs/dbraw/zinc/16/25/57/186162557.db2.gz SDGGTUGKJUYFFV-UXLLHSPISA-N 2 2 290.382 1.978 40 0 CDABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196260 186162558 /nfs/dbraw/zinc/16/25/58/186162558.db2.gz SDGGTUGKJUYFFV-UXLLHSPISA-N 2 2 290.382 1.978 40 0 CDABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196260 186162560 /nfs/dbraw/zinc/16/25/60/186162560.db2.gz SDGGTUGKJUYFFV-UXLLHSPISA-N 2 2 290.382 1.978 40 0 CDABLP CCOC[C@H]1Cn2c[nH+]cc2C[N@H+](CC2CCOCC2)C1 ZINC000096208217 358720365 /nfs/dbraw/zinc/72/03/65/358720365.db2.gz CGIZLXXSJIZWNR-OAHLLOKOSA-N 2 2 293.411 1.778 40 0 CDABLP CCOC[C@H]1Cn2c[nH+]cc2C[N@@H+](CC2CCOCC2)C1 ZINC000096208217 358720367 /nfs/dbraw/zinc/72/03/67/358720367.db2.gz CGIZLXXSJIZWNR-OAHLLOKOSA-N 2 2 293.411 1.778 40 0 CDABLP c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)nc1 ZINC000096229368 358723845 /nfs/dbraw/zinc/72/38/45/358723845.db2.gz HBWBTQHTDHZYKX-HNNXBMFYSA-N 2 2 261.369 1.284 40 0 CDABLP c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)nc1 ZINC000096229368 358723848 /nfs/dbraw/zinc/72/38/48/358723848.db2.gz HBWBTQHTDHZYKX-HNNXBMFYSA-N 2 2 261.369 1.284 40 0 CDABLP CCC[N@@H+]1CCCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000079351810 374795211 /nfs/dbraw/zinc/79/52/11/374795211.db2.gz CATMOQWUUWEMTL-AWEZNQCLSA-N 2 2 278.400 1.654 40 0 CDABLP CCC[N@H+]1CCCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000079351810 374795217 /nfs/dbraw/zinc/79/52/17/374795217.db2.gz CATMOQWUUWEMTL-AWEZNQCLSA-N 2 2 278.400 1.654 40 0 CDABLP Cc1ccnc([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257247213 190019021 /nfs/dbraw/zinc/01/90/21/190019021.db2.gz IXYORPGSABNNKH-ZDUSSCGKSA-N 2 2 260.385 1.669 40 0 CDABLP Cc1ccnc([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257247213 190019022 /nfs/dbraw/zinc/01/90/22/190019022.db2.gz IXYORPGSABNNKH-ZDUSSCGKSA-N 2 2 260.385 1.669 40 0 CDABLP Cc1c[nH]c([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)[nH+]1 ZINC000257311303 190032220 /nfs/dbraw/zinc/03/22/20/190032220.db2.gz UIVUZHWNGHPJDF-ZDUSSCGKSA-N 2 2 276.384 1.520 40 0 CDABLP CC[N@@H+]1CCC[C@](O)(C[NH+](C)Cc2c(C)nn(C)c2C)C1 ZINC000046087874 175392520 /nfs/dbraw/zinc/39/25/20/175392520.db2.gz BJBNWJZNRGVTBX-INIZCTEOSA-N 2 2 294.443 1.316 40 0 CDABLP CC[N@H+]1CCC[C@](O)(C[NH+](C)Cc2c(C)nn(C)c2C)C1 ZINC000046087874 175392522 /nfs/dbraw/zinc/39/25/22/175392522.db2.gz BJBNWJZNRGVTBX-INIZCTEOSA-N 2 2 294.443 1.316 40 0 CDABLP CC[NH+]1CCC[C@](O)(C[N@H+](C)Cc2c(C)nn(C)c2C)C1 ZINC000046087874 175392523 /nfs/dbraw/zinc/39/25/23/175392523.db2.gz BJBNWJZNRGVTBX-INIZCTEOSA-N 2 2 294.443 1.316 40 0 CDABLP CC[NH+]1CCC[C@](O)(C[N@@H+](C)Cc2c(C)nn(C)c2C)C1 ZINC000046087874 175392524 /nfs/dbraw/zinc/39/25/24/175392524.db2.gz BJBNWJZNRGVTBX-INIZCTEOSA-N 2 2 294.443 1.316 40 0 CDABLP Cc1[nH+]ccn1-c1cccc(C2CC[NH+](CC(N)=O)CC2)n1 ZINC000072355722 176375242 /nfs/dbraw/zinc/37/52/42/176375242.db2.gz MFAIIBWXDIJZOC-UHFFFAOYSA-N 2 2 299.378 1.240 40 0 CDABLP CNc1cncc([C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257261973 362580745 /nfs/dbraw/zinc/58/07/45/362580745.db2.gz LJMPYJRMTJXMIW-CQSZACIVSA-N 2 2 275.400 1.749 40 0 CDABLP CNc1cncc([C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257261973 362580748 /nfs/dbraw/zinc/58/07/48/362580748.db2.gz LJMPYJRMTJXMIW-CQSZACIVSA-N 2 2 275.400 1.749 40 0 CDABLP Cc1[nH]c(C[N@H+]2CCC3(CC(NC(=O)N(C)C)C3)C2)c[nH+]1 ZINC000108527596 186221184 /nfs/dbraw/zinc/22/11/84/186221184.db2.gz VBLIKNXCEPXZTK-UHFFFAOYSA-N 2 2 291.399 1.344 40 0 CDABLP Cc1[nH]c(C[N@@H+]2CCC3(CC(NC(=O)N(C)C)C3)C2)c[nH+]1 ZINC000108527596 186221186 /nfs/dbraw/zinc/22/11/86/186221186.db2.gz VBLIKNXCEPXZTK-UHFFFAOYSA-N 2 2 291.399 1.344 40 0 CDABLP C[N@H+](CC[NH3+])[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390942 356988568 /nfs/dbraw/zinc/98/85/68/356988568.db2.gz LUVNRPXKJPTWHS-AWEZNQCLSA-N 2 2 277.368 1.288 40 0 CDABLP C[N@@H+](CC[NH3+])[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390942 356988572 /nfs/dbraw/zinc/98/85/72/356988572.db2.gz LUVNRPXKJPTWHS-AWEZNQCLSA-N 2 2 277.368 1.288 40 0 CDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccccn2)C1 ZINC000096059180 358707572 /nfs/dbraw/zinc/70/75/72/358707572.db2.gz QBHKKWHHZXHFOS-CQSZACIVSA-N 2 2 285.395 1.472 40 0 CDABLP Cc1cccc(N2CCn3c(Cn4cccn4)c[nH+]c3C2)[nH+]1 ZINC000096201100 358718178 /nfs/dbraw/zinc/71/81/78/358718178.db2.gz AIJGRPXJCAOALD-UHFFFAOYSA-N 2 2 294.362 1.852 40 0 CDABLP CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000064875932 374240244 /nfs/dbraw/zinc/24/02/44/374240244.db2.gz GHEWOHFCZXBHLP-HNNXBMFYSA-N 2 2 278.396 1.284 40 0 CDABLP CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000064875932 374240248 /nfs/dbraw/zinc/24/02/48/374240248.db2.gz GHEWOHFCZXBHLP-HNNXBMFYSA-N 2 2 278.396 1.284 40 0 CDABLP Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)n1 ZINC000257246593 190019026 /nfs/dbraw/zinc/01/90/26/190019026.db2.gz IUVBDXHYINYIFV-HOTGVXAUSA-N 2 2 286.379 1.785 40 0 CDABLP Cc1cccc(C[N@H+]2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)n1 ZINC000257246593 190019027 /nfs/dbraw/zinc/01/90/27/190019027.db2.gz IUVBDXHYINYIFV-HOTGVXAUSA-N 2 2 286.379 1.785 40 0 CDABLP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OC ZINC000022076109 171351960 /nfs/dbraw/zinc/35/19/60/171351960.db2.gz XQUHRSHOYYDGGC-UHFFFAOYSA-N 2 2 288.775 1.029 40 0 CDABLP [NH3+][C@@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCCC3)C1 ZINC000096516998 390531859 /nfs/dbraw/zinc/53/18/59/390531859.db2.gz GXJIBPAFDKPWNR-LLVKDONJSA-N 2 2 258.369 1.770 40 0 CDABLP C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000257319505 277089533 /nfs/dbraw/zinc/08/95/33/277089533.db2.gz VSVUICNOBRBLPE-INIZCTEOSA-N 2 2 298.390 1.789 40 0 CDABLP C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000257319505 277089535 /nfs/dbraw/zinc/08/95/35/277089535.db2.gz VSVUICNOBRBLPE-INIZCTEOSA-N 2 2 298.390 1.789 40 0 CDABLP COc1c(C[NH+](C)C)cc(C=O)cc1C[NH+](C)C ZINC000225720528 333182252 /nfs/dbraw/zinc/18/22/52/333182252.db2.gz AYEOJUVXXYYENV-UHFFFAOYSA-N 2 2 250.342 1.631 40 0 CDABLP COc1ccc(-c2nc(N3CC[NH2+]CC3)cc(C)[nH+]2)cc1 ZINC000058047145 357375879 /nfs/dbraw/zinc/37/58/79/357375879.db2.gz KATTXFNBJNLWCI-UHFFFAOYSA-N 2 2 284.363 1.870 40 0 CDABLP C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081297689 358120572 /nfs/dbraw/zinc/12/05/72/358120572.db2.gz WMIQYRZFOJDKPI-OAHLLOKOSA-N 2 2 298.390 1.830 40 0 CDABLP C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081297689 358120574 /nfs/dbraw/zinc/12/05/74/358120574.db2.gz WMIQYRZFOJDKPI-OAHLLOKOSA-N 2 2 298.390 1.830 40 0 CDABLP CC[NH+](CC)CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256050933 190003761 /nfs/dbraw/zinc/00/37/61/190003761.db2.gz HBHLUHHSAKELII-UHFFFAOYSA-N 2 2 274.359 1.970 40 0 CDABLP C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000257319506 190033449 /nfs/dbraw/zinc/03/34/49/190033449.db2.gz VSVUICNOBRBLPE-MRXNPFEDSA-N 2 2 298.390 1.789 40 0 CDABLP C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000257319506 190033450 /nfs/dbraw/zinc/03/34/50/190033450.db2.gz VSVUICNOBRBLPE-MRXNPFEDSA-N 2 2 298.390 1.789 40 0 CDABLP Cn1cc[nH+]c1CNC(=O)c1cc([C@H]2CCC[NH2+]2)ccn1 ZINC000072365715 176381211 /nfs/dbraw/zinc/38/12/11/176381211.db2.gz NNPYEBUAVOANIG-GFCCVEGCSA-N 2 2 285.351 1.170 40 0 CDABLP O=C(CCn1cc[nH+]c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257287122 279760086 /nfs/dbraw/zinc/76/00/86/279760086.db2.gz POPQEAJKAYZQOA-OAHLLOKOSA-N 2 2 284.363 1.446 40 0 CDABLP Brc1cccc2c([C@@H]3C[NH2+]CCO3)[nH+]cn21 ZINC000095698615 342451692 /nfs/dbraw/zinc/45/16/92/342451692.db2.gz PMXWITXTQKAMSR-VIFPVBQESA-N 2 2 282.141 1.758 40 0 CDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2cccnc2)C1 ZINC000096059182 185078416 /nfs/dbraw/zinc/07/84/16/185078416.db2.gz ANFOWCMZAZIUCK-OAHLLOKOSA-N 2 2 285.395 1.472 40 0 CDABLP Cn1cc(C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)cn1 ZINC000205697690 348744141 /nfs/dbraw/zinc/74/41/41/348744141.db2.gz RYFIFVVTBLSBBL-AWEZNQCLSA-N 2 2 250.390 1.726 40 0 CDABLP Cn1cc(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)cn1 ZINC000205697690 348744145 /nfs/dbraw/zinc/74/41/45/348744145.db2.gz RYFIFVVTBLSBBL-AWEZNQCLSA-N 2 2 250.390 1.726 40 0 CDABLP [NH3+]C1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000043220482 356095782 /nfs/dbraw/zinc/09/57/82/356095782.db2.gz NXFAZCRUVYAXKV-ZDUSSCGKSA-N 2 2 254.761 1.797 40 0 CDABLP CC[NH+](CC)[C@H]1COC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096186815 358714828 /nfs/dbraw/zinc/71/48/28/358714828.db2.gz USNLQJNMCUPXHZ-JYJNAYRXSA-N 2 2 292.427 1.209 40 0 CDABLP CC[NH+](CC)[C@H]1COC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096186815 358714830 /nfs/dbraw/zinc/71/48/30/358714830.db2.gz USNLQJNMCUPXHZ-JYJNAYRXSA-N 2 2 292.427 1.209 40 0 CDABLP C[N@@H+]1CCC[C@@H]2N(C(=O)Cn3cc[nH+]c3)CCC[C@@]21C ZINC000257295321 190028631 /nfs/dbraw/zinc/02/86/31/190028631.db2.gz QXWKFRWISHAPOC-ZFWWWQNUSA-N 2 2 276.384 1.358 40 0 CDABLP C[N@H+]1CCC[C@@H]2N(C(=O)Cn3cc[nH+]c3)CCC[C@@]21C ZINC000257295321 190028632 /nfs/dbraw/zinc/02/86/32/190028632.db2.gz QXWKFRWISHAPOC-ZFWWWQNUSA-N 2 2 276.384 1.358 40 0 CDABLP CCOc1cccc(C[NH2+]CC[NH2+]C[C@@H](C)O)c1 ZINC000022075982 171351879 /nfs/dbraw/zinc/35/18/79/171351879.db2.gz ZPYPXUZASQNTFV-GFCCVEGCSA-N 2 2 252.358 1.145 40 0 CDABLP Cn1cc[nH+]c1CNc1cncc([C@@H]2CCCC[N@@H+]2C)n1 ZINC000072366228 176381318 /nfs/dbraw/zinc/38/13/18/176381318.db2.gz NWHXBBCXGXUHFE-ZDUSSCGKSA-N 2 2 286.383 1.979 40 0 CDABLP Cn1cc[nH+]c1CNc1cncc([C@@H]2CCCC[N@H+]2C)n1 ZINC000072366228 176381319 /nfs/dbraw/zinc/38/13/19/176381319.db2.gz NWHXBBCXGXUHFE-ZDUSSCGKSA-N 2 2 286.383 1.979 40 0 CDABLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C)o3)C[C@@H]2C1 ZINC000096107975 185099528 /nfs/dbraw/zinc/09/95/28/185099528.db2.gz XICHCSRRJTXHMH-GOEBONIOSA-N 2 2 294.395 1.367 40 0 CDABLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C)o3)C[C@@H]2C1 ZINC000096107975 185099529 /nfs/dbraw/zinc/09/95/29/185099529.db2.gz XICHCSRRJTXHMH-GOEBONIOSA-N 2 2 294.395 1.367 40 0 CDABLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C)o3)C[C@@H]2C1 ZINC000096107975 185099530 /nfs/dbraw/zinc/09/95/30/185099530.db2.gz XICHCSRRJTXHMH-GOEBONIOSA-N 2 2 294.395 1.367 40 0 CDABLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C)o3)C[C@@H]2C1 ZINC000096107975 185099531 /nfs/dbraw/zinc/09/95/31/185099531.db2.gz XICHCSRRJTXHMH-GOEBONIOSA-N 2 2 294.395 1.367 40 0 CDABLP c1cncc(C[NH+]2C[C@H]3C[NH+](CC4CC4)C[C@@H]3C2)c1 ZINC000096110638 185101059 /nfs/dbraw/zinc/10/10/59/185101059.db2.gz BAWMYWGYJPVUOM-HZPDHXFCSA-N 2 2 257.381 1.855 40 0 CDABLP CC(C)(C)OC(=O)NCC1CC[NH+](CC[NH3+])CC1 ZINC000026896430 356830759 /nfs/dbraw/zinc/83/07/59/356830759.db2.gz TTWADLIWBCFERQ-UHFFFAOYSA-N 2 2 257.378 1.182 40 0 CDABLP CC[NH+](CC)CC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219084 357154024 /nfs/dbraw/zinc/15/40/24/357154024.db2.gz KZZBBSLEFOWKNR-GFCCVEGCSA-N 2 2 258.406 1.896 40 0 CDABLP c1cc(C[N@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)co1 ZINC000096196981 358716553 /nfs/dbraw/zinc/71/65/53/358716553.db2.gz HSVNXGZSSYCJHP-UHFFFAOYSA-N 2 2 298.350 1.174 40 0 CDABLP c1cc(C[N@@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)co1 ZINC000096196981 358716556 /nfs/dbraw/zinc/71/65/56/358716556.db2.gz HSVNXGZSSYCJHP-UHFFFAOYSA-N 2 2 298.350 1.174 40 0 CDABLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096220570 358723302 /nfs/dbraw/zinc/72/33/02/358723302.db2.gz JYGJUHXRUUIVRJ-DZGCQCFKSA-N 2 2 261.369 1.234 40 0 CDABLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096220570 358723305 /nfs/dbraw/zinc/72/33/05/358723305.db2.gz JYGJUHXRUUIVRJ-DZGCQCFKSA-N 2 2 261.369 1.234 40 0 CDABLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096220570 358723308 /nfs/dbraw/zinc/72/33/08/358723308.db2.gz JYGJUHXRUUIVRJ-DZGCQCFKSA-N 2 2 261.369 1.234 40 0 CDABLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096220570 358723309 /nfs/dbraw/zinc/72/33/09/358723309.db2.gz JYGJUHXRUUIVRJ-DZGCQCFKSA-N 2 2 261.369 1.234 40 0 CDABLP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000064875914 374240325 /nfs/dbraw/zinc/24/03/25/374240325.db2.gz AOPATLMJOOCVIE-CQSZACIVSA-N 2 2 264.369 1.030 40 0 CDABLP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000064875914 374240330 /nfs/dbraw/zinc/24/03/30/374240330.db2.gz AOPATLMJOOCVIE-CQSZACIVSA-N 2 2 264.369 1.030 40 0 CDABLP COc1ccccc1[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000257231692 190015971 /nfs/dbraw/zinc/01/59/71/190015971.db2.gz GHWKXSNRYJYXFQ-AWEZNQCLSA-N 2 2 286.379 1.907 40 0 CDABLP COc1ccccc1[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000257231692 190015972 /nfs/dbraw/zinc/01/59/72/190015972.db2.gz GHWKXSNRYJYXFQ-AWEZNQCLSA-N 2 2 286.379 1.907 40 0 CDABLP Cc1[nH+]cc(-c2cncc([C@@H]3CCC[NH2+]C3)n2)n1C ZINC000257272601 190024831 /nfs/dbraw/zinc/02/48/31/190024831.db2.gz NDAPRUKQENAEQZ-LLVKDONJSA-N 2 2 257.341 1.653 40 0 CDABLP CC[N@@H+]1CCC[C@@](O)(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000046087459 175391941 /nfs/dbraw/zinc/39/19/41/175391941.db2.gz WXKCFHMOMCMXJD-MRXNPFEDSA-N 2 2 292.379 1.352 40 0 CDABLP CC[N@H+]1CCC[C@@](O)(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000046087459 175391942 /nfs/dbraw/zinc/39/19/42/175391942.db2.gz WXKCFHMOMCMXJD-MRXNPFEDSA-N 2 2 292.379 1.352 40 0 CDABLP Cn1cc[nH+]c1CNc1cncc([C@H]2CCCC[N@@H+]2C)n1 ZINC000072366229 176381062 /nfs/dbraw/zinc/38/10/62/176381062.db2.gz NWHXBBCXGXUHFE-CYBMUJFWSA-N 2 2 286.383 1.979 40 0 CDABLP Cn1cc[nH+]c1CNc1cncc([C@H]2CCCC[N@H+]2C)n1 ZINC000072366229 176381063 /nfs/dbraw/zinc/38/10/63/176381063.db2.gz NWHXBBCXGXUHFE-CYBMUJFWSA-N 2 2 286.383 1.979 40 0 CDABLP c1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)nc1 ZINC000019401872 356484160 /nfs/dbraw/zinc/48/41/60/356484160.db2.gz AMEUGNSHBJKPDF-MRXNPFEDSA-N 2 2 295.390 1.854 40 0 CDABLP c1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)nc1 ZINC000019401872 356484166 /nfs/dbraw/zinc/48/41/66/356484166.db2.gz AMEUGNSHBJKPDF-MRXNPFEDSA-N 2 2 295.390 1.854 40 0 CDABLP CC[N@H+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079393515 356989389 /nfs/dbraw/zinc/98/93/89/356989389.db2.gz LIPHVBWAPJPGRY-UHFFFAOYSA-N 2 2 262.397 1.965 40 0 CDABLP CC[N@@H+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079393515 356989394 /nfs/dbraw/zinc/98/93/94/356989394.db2.gz LIPHVBWAPJPGRY-UHFFFAOYSA-N 2 2 262.397 1.965 40 0 CDABLP COCC[N@@H+]1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161705 358710903 /nfs/dbraw/zinc/71/09/03/358710903.db2.gz AUHKIJTUGAUOEC-GASCZTMLSA-N 2 2 278.371 1.836 40 0 CDABLP COCC[N@H+]1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161705 358710905 /nfs/dbraw/zinc/71/09/05/358710905.db2.gz AUHKIJTUGAUOEC-GASCZTMLSA-N 2 2 278.371 1.836 40 0 CDABLP COCC[NH+]1C[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161705 358710906 /nfs/dbraw/zinc/71/09/06/358710906.db2.gz AUHKIJTUGAUOEC-GASCZTMLSA-N 2 2 278.371 1.836 40 0 CDABLP COCC[NH+]1C[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161705 358710909 /nfs/dbraw/zinc/71/09/09/358710909.db2.gz AUHKIJTUGAUOEC-GASCZTMLSA-N 2 2 278.371 1.836 40 0 CDABLP Cc1nc(N2CC[NH2+]C[C@H]2c2ccccc2)cc[nH+]1 ZINC000257290194 302709615 /nfs/dbraw/zinc/70/96/15/302709615.db2.gz QBYRCJTYOMBPSD-AWEZNQCLSA-N 2 2 254.337 1.936 40 0 CDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccco2)C1 ZINC000096059183 185079608 /nfs/dbraw/zinc/07/96/08/185079608.db2.gz CYRZPFXQZHNPMZ-GFCCVEGCSA-N 2 2 288.351 1.310 40 0 CDABLP CC(C)(C)OC(=O)CC[NH2+]CCCn1cc[nH+]c1 ZINC000047218982 357153949 /nfs/dbraw/zinc/15/39/49/357153949.db2.gz DBZIZYSWJYCNBR-UHFFFAOYSA-N 2 2 253.346 1.595 40 0 CDABLP C[N@H+](CCc1ccccn1)C[C@]1(O)CCC[NH+](C)C1 ZINC000041124034 359685462 /nfs/dbraw/zinc/68/54/62/359685462.db2.gz VAXJVWGDSHVPHS-HNNXBMFYSA-N 2 2 263.385 1.013 40 0 CDABLP C[N@@H+](CCc1ccccn1)C[C@]1(O)CCC[NH+](C)C1 ZINC000041124034 359685466 /nfs/dbraw/zinc/68/54/66/359685466.db2.gz VAXJVWGDSHVPHS-HNNXBMFYSA-N 2 2 263.385 1.013 40 0 CDABLP C[NH+](CCc1ccccn1)C[C@]1(O)CCC[N@H+](C)C1 ZINC000041124034 359685469 /nfs/dbraw/zinc/68/54/69/359685469.db2.gz VAXJVWGDSHVPHS-HNNXBMFYSA-N 2 2 263.385 1.013 40 0 CDABLP C[NH+](CCc1ccccn1)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000041124034 359685473 /nfs/dbraw/zinc/68/54/73/359685473.db2.gz VAXJVWGDSHVPHS-HNNXBMFYSA-N 2 2 263.385 1.013 40 0 CDABLP COc1ccc([C@@H]2C[NH2+]CCN2Cc2[nH]cc[nH+]2)cc1 ZINC000257228421 190016520 /nfs/dbraw/zinc/01/65/20/190016520.db2.gz FTUGYZDHXBSJGP-AWEZNQCLSA-N 2 2 272.352 1.565 40 0 CDABLP Cc1[nH+]cc(-c2nccnc2C[C@H]2CCC[NH2+]C2)n1C ZINC000257309299 190030864 /nfs/dbraw/zinc/03/08/64/190030864.db2.gz UAJQYGDBRPTZHO-GFCCVEGCSA-N 2 2 271.368 1.728 40 0 CDABLP COc1ccc(C(=O)C(C[NH+](C)C)C[NH+](C)C)cc1OC ZINC000001580573 390139033 /nfs/dbraw/zinc/13/90/33/390139033.db2.gz RMKAMTUETBZUNE-UHFFFAOYSA-N 2 2 294.395 1.626 40 0 CDABLP COc1ccc([C@H](O)C(C[NH+](C)C)C[NH+](C)C)cc1 ZINC000006371916 170196096 /nfs/dbraw/zinc/19/60/96/170196096.db2.gz AHUVJDUMWKOIDL-HNNXBMFYSA-N 2 2 266.385 1.468 40 0 CDABLP C1CC1c1nc(N2CC[NH2+]CC2)c2c([nH+]1)CCCC2 ZINC000096516922 273483015 /nfs/dbraw/zinc/48/30/15/273483015.db2.gz WRTAMDLFZOZABK-UHFFFAOYSA-N 2 2 258.369 1.642 40 0 CDABLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000013694384 366497762 /nfs/dbraw/zinc/49/77/62/366497762.db2.gz HGVLJNXIIAGZJO-UHFFFAOYSA-N 2 2 257.341 1.137 40 0 CDABLP CC(C)C[NH+]1CC2(C1)C[N@H+](CC(C)C)C[C@@H]1C[C@@H](O)CN12 ZINC000514290058 360126210 /nfs/dbraw/zinc/12/62/10/360126210.db2.gz SCZWLYRQCAFKJC-JKSUJKDBSA-N 2 2 295.471 1.104 40 0 biogenic,in-vitro CDABLP CC(C)C[NH+]1CC2(C1)C[N@@H+](CC(C)C)C[C@@H]1C[C@@H](O)CN12 ZINC000514290058 360126215 /nfs/dbraw/zinc/12/62/15/360126215.db2.gz SCZWLYRQCAFKJC-JKSUJKDBSA-N 2 2 295.471 1.104 40 0 biogenic,in-vitro CDABLP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000064875927 374241438 /nfs/dbraw/zinc/24/14/38/374241438.db2.gz XDAXKENFTDFOCV-AWEZNQCLSA-N 2 2 264.369 1.030 40 0 CDABLP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[NH2+]CC2)c1 ZINC000064875927 374241442 /nfs/dbraw/zinc/24/14/42/374241442.db2.gz XDAXKENFTDFOCV-AWEZNQCLSA-N 2 2 264.369 1.030 40 0 CDABLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC000306124506 374967578 /nfs/dbraw/zinc/96/75/78/374967578.db2.gz BRWSGSLHBLAZRB-OAHLLOKOSA-N 2 2 279.384 1.493 40 0 CDABLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC000306124506 374967583 /nfs/dbraw/zinc/96/75/83/374967583.db2.gz BRWSGSLHBLAZRB-OAHLLOKOSA-N 2 2 279.384 1.493 40 0 CDABLP Cc1[nH+]cc(-c2nccnc2C2CC[NH+](C)CC2)n1C ZINC000257213183 190012974 /nfs/dbraw/zinc/01/29/74/190012974.db2.gz CGMBQJUQELXUFU-UHFFFAOYSA-N 2 2 271.368 1.995 40 0 CDABLP Cc1[nH+]c[nH]c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257251011 190020386 /nfs/dbraw/zinc/02/03/86/190020386.db2.gz JPAFUHPQEBEJJI-OAHLLOKOSA-N 2 2 256.353 1.865 40 0 CDABLP CC[NH+](CC)CCC[NH2+]CC(=O)Nc1nc(C)cs1 ZINC000026439613 391106173 /nfs/dbraw/zinc/10/61/73/391106173.db2.gz BYETZNJWAAKOPL-UHFFFAOYSA-N 2 2 284.429 1.712 40 0 CDABLP CC(C)N(C[C@@H]1CC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408516 356992084 /nfs/dbraw/zinc/99/20/84/356992084.db2.gz IRURXPHXOBTBIY-CYBMUJFWSA-N 2 2 285.432 1.913 40 0 CDABLP CC(C)N(C[C@@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408516 356992086 /nfs/dbraw/zinc/99/20/86/356992086.db2.gz IRURXPHXOBTBIY-CYBMUJFWSA-N 2 2 285.432 1.913 40 0 CDABLP c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)nc1 ZINC000096229369 358723664 /nfs/dbraw/zinc/72/36/64/358723664.db2.gz HBWBTQHTDHZYKX-OAHLLOKOSA-N 2 2 261.369 1.284 40 0 CDABLP c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)nc1 ZINC000096229369 358723669 /nfs/dbraw/zinc/72/36/69/358723669.db2.gz HBWBTQHTDHZYKX-OAHLLOKOSA-N 2 2 261.369 1.284 40 0 CDABLP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCc1cc(=O)[nH][nH]1 ZINC000257305961 190031355 /nfs/dbraw/zinc/03/13/55/190031355.db2.gz SSGHRKQLAJRJPS-HIFRSBDPSA-N 2 2 286.379 1.095 40 0 CDABLP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCc1cc(=O)[nH][nH]1 ZINC000257305961 190031356 /nfs/dbraw/zinc/03/13/56/190031356.db2.gz SSGHRKQLAJRJPS-HIFRSBDPSA-N 2 2 286.379 1.095 40 0 CDABLP Cc1cc(N2CC[NH2+]C[C@@H]2c2ccccc2)nc[nH+]1 ZINC000257275628 301339190 /nfs/dbraw/zinc/33/91/90/301339190.db2.gz NQEGNYJSRJWIPY-CQSZACIVSA-N 2 2 254.337 1.936 40 0 CDABLP Cc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)nc[nH+]1 ZINC000072385522 357831837 /nfs/dbraw/zinc/83/18/37/357831837.db2.gz AEUDVQBTDBRCKF-CYBMUJFWSA-N 2 2 271.368 1.978 40 0 CDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2nccs2)C1 ZINC000096188187 358715506 /nfs/dbraw/zinc/71/55/06/358715506.db2.gz CUKPXCHLODZCPV-LBPRGKRZSA-N 2 2 291.424 1.533 40 0 CDABLP C[N@H+](CC(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231303601 360440230 /nfs/dbraw/zinc/44/02/30/360440230.db2.gz UFOQDHIXGWNSTC-LBPRGKRZSA-N 2 2 279.359 1.838 40 0 CDABLP C[N@@H+](CC(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231303601 360440234 /nfs/dbraw/zinc/44/02/34/360440234.db2.gz UFOQDHIXGWNSTC-LBPRGKRZSA-N 2 2 279.359 1.838 40 0 CDABLP c1ccc(C[N@H+]2CC[NH2+]C[C@@H](Cc3cnccn3)C2)cc1 ZINC000072355045 176375078 /nfs/dbraw/zinc/37/50/78/176375078.db2.gz JKIZRIBDSJXEPT-MRXNPFEDSA-N 2 2 282.391 1.741 40 0 CDABLP c1ccc(C[N@@H+]2CC[NH2+]C[C@@H](Cc3cnccn3)C2)cc1 ZINC000072355045 176375081 /nfs/dbraw/zinc/37/50/81/176375081.db2.gz JKIZRIBDSJXEPT-MRXNPFEDSA-N 2 2 282.391 1.741 40 0 CDABLP CC(C)C[NH+]1CCC(c2c[nH+]cn2CCO)CC1 ZINC000072383182 176387925 /nfs/dbraw/zinc/38/79/25/176387925.db2.gz JMEGCBLTTXCUCS-UHFFFAOYSA-N 2 2 251.374 1.711 40 0 CDABLP c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)c[nH+]1 ZINC000248078757 362148915 /nfs/dbraw/zinc/14/89/15/362148915.db2.gz HYCNUIXRCHWTES-BHYGNILZSA-N 2 2 298.390 1.958 40 0 CDABLP c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)c[nH+]1 ZINC000248078757 362148918 /nfs/dbraw/zinc/14/89/18/362148918.db2.gz HYCNUIXRCHWTES-BHYGNILZSA-N 2 2 298.390 1.958 40 0 CDABLP Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc(C)[nH+]1 ZINC000072368009 357831199 /nfs/dbraw/zinc/83/11/99/357831199.db2.gz KYYAOVDFNXMTAD-UHFFFAOYSA-N 2 2 272.356 1.139 40 0 CDABLP CCN1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1=O ZINC000333526546 371734393 /nfs/dbraw/zinc/73/43/93/371734393.db2.gz IDAKOMFEEHRMBA-HONMWMINSA-N 2 2 259.353 1.342 40 0 CDABLP Cc1[nH+]cc(-c2cncc([C@H]3CCC[N@H+](C)C3)n2)n1C ZINC000257333736 190035591 /nfs/dbraw/zinc/03/55/91/190035591.db2.gz YCVXFMQDWLVGNP-LBPRGKRZSA-N 2 2 271.368 1.995 40 0 CDABLP Cc1[nH+]cc(-c2cncc([C@H]3CCC[N@@H+](C)C3)n2)n1C ZINC000257333736 190035592 /nfs/dbraw/zinc/03/55/92/190035592.db2.gz YCVXFMQDWLVGNP-LBPRGKRZSA-N 2 2 271.368 1.995 40 0 CDABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OC ZINC000022076058 171351941 /nfs/dbraw/zinc/35/19/41/171351941.db2.gz PGJFZKMAWTXCHS-GFCCVEGCSA-N 2 2 282.384 1.154 40 0 CDABLP c1nn(C2CC[NH2+]CC2)c2nc[nH+]c(N3CC=CCC3)c12 ZINC000228934773 570372984 /nfs/dbraw/zinc/37/29/84/570372984.db2.gz ZLDYXLUCXLUBHF-UHFFFAOYSA-N 2 2 284.367 1.517 40 0 CDABLP Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000096108262 185100379 /nfs/dbraw/zinc/10/03/79/185100379.db2.gz SZLFREYPBZMZHV-OCCSQVGLSA-N 2 2 281.425 1.462 40 0 CDABLP Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000096108262 185100380 /nfs/dbraw/zinc/10/03/80/185100380.db2.gz SZLFREYPBZMZHV-OCCSQVGLSA-N 2 2 281.425 1.462 40 0 CDABLP Cc1[nH+]cc(-c2cc(C)nc([C@@H]3CCC[NH2+]3)n2)n1C ZINC000257201090 190010637 /nfs/dbraw/zinc/01/06/37/190010637.db2.gz AGFWGGFGOJVQHH-NSHDSACASA-N 2 2 257.341 1.918 40 0 CDABLP Cc1[nH+]cc(-c2cncc(C[C@H]3CC[NH2+]C3)n2)n1C ZINC000257298149 190029860 /nfs/dbraw/zinc/02/98/60/190029860.db2.gz RKKIRASXZIGUCQ-LLVKDONJSA-N 2 2 257.341 1.338 40 0 CDABLP Cc1c[nH]c([C@@H]2CCCN2C(=O)C2([NH3+])CCCC2)[nH+]1 ZINC000257301044 190030301 /nfs/dbraw/zinc/03/03/01/190030301.db2.gz RWSWJBJWSVIDKK-NSHDSACASA-N 2 2 262.357 1.653 40 0 CDABLP CC[NH+](CC)Cc1nc([C@H]([NH3+])c2ccccc2)no1 ZINC000070453751 390942636 /nfs/dbraw/zinc/94/26/36/390942636.db2.gz BNRXEUQPADZGEI-CYBMUJFWSA-N 2 2 260.341 1.960 40 0 CDABLP C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000091212124 180112425 /nfs/dbraw/zinc/11/24/25/180112425.db2.gz QNMXOMKUYYRTMR-OAHLLOKOSA-N 2 2 298.390 1.830 40 0 CDABLP C[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000091212124 180112427 /nfs/dbraw/zinc/11/24/27/180112427.db2.gz QNMXOMKUYYRTMR-OAHLLOKOSA-N 2 2 298.390 1.830 40 0 CDABLP CCN(C[C@@H]1CC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408427 356992693 /nfs/dbraw/zinc/99/26/93/356992693.db2.gz OCRNYFXNMCZDSF-GFCCVEGCSA-N 2 2 271.405 1.524 40 0 CDABLP CCN(C[C@@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408427 356992696 /nfs/dbraw/zinc/99/26/96/356992696.db2.gz OCRNYFXNMCZDSF-GFCCVEGCSA-N 2 2 271.405 1.524 40 0 CDABLP CN(C[C@H]1CC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411481 356993676 /nfs/dbraw/zinc/99/36/76/356993676.db2.gz SIMGLOBWRUDRNJ-OAHLLOKOSA-N 2 2 291.395 1.536 40 0 CDABLP CN(C[C@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411481 356993679 /nfs/dbraw/zinc/99/36/79/356993679.db2.gz SIMGLOBWRUDRNJ-OAHLLOKOSA-N 2 2 291.395 1.536 40 0 CDABLP CCc1[nH]c(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c(C)[nH+]1 ZINC000257231357 190016026 /nfs/dbraw/zinc/01/60/26/190016026.db2.gz GGIICDWORIPSOQ-ZFWWWQNUSA-N 2 2 279.384 1.396 40 0 CDABLP CCc1[nH]c(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c(C)[nH+]1 ZINC000257231357 190016027 /nfs/dbraw/zinc/01/60/27/190016027.db2.gz GGIICDWORIPSOQ-ZFWWWQNUSA-N 2 2 279.384 1.396 40 0 CDABLP Cn1c[nH+]cc1CN1CCC[C@@]2(C)[C@H]1CCC[N@@H+]2C ZINC000257261217 190022637 /nfs/dbraw/zinc/02/26/37/190022637.db2.gz LGFLNTNVEXMOBQ-CABCVRRESA-N 2 2 262.401 1.869 40 0 CDABLP Cn1c[nH+]cc1CN1CCC[C@@]2(C)[C@H]1CCC[N@H+]2C ZINC000257261217 190022638 /nfs/dbraw/zinc/02/26/38/190022638.db2.gz LGFLNTNVEXMOBQ-CABCVRRESA-N 2 2 262.401 1.869 40 0 CDABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cnccn3)C2)[nH+]1 ZINC000257306773 190030896 /nfs/dbraw/zinc/03/08/96/190030896.db2.gz SVVAPQDAFXTBEQ-GFCCVEGCSA-N 2 2 257.341 1.508 40 0 CDABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cnccn3)C2)[nH+]1 ZINC000257306773 190030897 /nfs/dbraw/zinc/03/08/97/190030897.db2.gz SVVAPQDAFXTBEQ-GFCCVEGCSA-N 2 2 257.341 1.508 40 0 CDABLP CNc1cc([C@H]2CCC[N@H+](CC(=O)N(C)C)C2)cc[nH+]1 ZINC000257305631 190031242 /nfs/dbraw/zinc/03/12/42/190031242.db2.gz SQVLUYNQUQHMKC-ZDUSSCGKSA-N 2 2 276.384 1.391 40 0 CDABLP CNc1cc([C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)cc[nH+]1 ZINC000257305631 190031243 /nfs/dbraw/zinc/03/12/43/190031243.db2.gz SQVLUYNQUQHMKC-ZDUSSCGKSA-N 2 2 276.384 1.391 40 0 CDABLP Cc1ccc2[nH]c(C3CC[NH+](CC(N)=O)CC3)[nH+]c2c1 ZINC000072351160 176374187 /nfs/dbraw/zinc/37/41/87/176374187.db2.gz SHXFIOPMQBBCBR-UHFFFAOYSA-N 2 2 272.352 1.536 40 0 CDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccncc2)C1 ZINC000096086772 289203535 /nfs/dbraw/zinc/20/35/35/289203535.db2.gz HHSHNBXVDBNCKT-HNNXBMFYSA-N 2 2 285.395 1.472 40 0 CDABLP c1ccc(NC[C@@H]2CO[C@@H]3C[N@@H+](C4CCC4)C[C@H]23)[nH+]c1 ZINC000248065351 362148950 /nfs/dbraw/zinc/14/89/50/362148950.db2.gz RBRHKOJCNHNFOT-BPLDGKMQSA-N 2 2 273.380 1.993 40 0 CDABLP c1ccc(NC[C@@H]2CO[C@@H]3C[N@H+](C4CCC4)C[C@H]23)[nH+]c1 ZINC000248065351 362148956 /nfs/dbraw/zinc/14/89/56/362148956.db2.gz RBRHKOJCNHNFOT-BPLDGKMQSA-N 2 2 273.380 1.993 40 0 CDABLP CCn1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000096523677 390537849 /nfs/dbraw/zinc/53/78/49/390537849.db2.gz HWCRWVSEGHMXCC-ZDUSSCGKSA-N 2 2 250.390 1.643 40 0 CDABLP CCn1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000096523677 390537854 /nfs/dbraw/zinc/53/78/54/390537854.db2.gz HWCRWVSEGHMXCC-ZDUSSCGKSA-N 2 2 250.390 1.643 40 0 CDABLP CC(C)(C)OC(=O)N(C[C@H]1CC[N@H+](CC[NH3+])C1)C1CC1 ZINC000079408599 356992542 /nfs/dbraw/zinc/99/25/42/356992542.db2.gz XVJZCULGXLAITO-LBPRGKRZSA-N 2 2 283.416 1.667 40 0 CDABLP CC(C)(C)OC(=O)N(C[C@H]1CC[N@@H+](CC[NH3+])C1)C1CC1 ZINC000079408599 356992547 /nfs/dbraw/zinc/99/25/47/356992547.db2.gz XVJZCULGXLAITO-LBPRGKRZSA-N 2 2 283.416 1.667 40 0 CDABLP CNc1nc([C@H]2CCCC[NH+]2C)nc2c1CC[N@H+](C)C2 ZINC000072376537 357831289 /nfs/dbraw/zinc/83/12/89/357831289.db2.gz SRCFMXWSCJMFJT-CYBMUJFWSA-N 2 2 275.400 1.663 40 0 CDABLP CNc1nc([C@H]2CCCC[NH+]2C)nc2c1CC[N@@H+](C)C2 ZINC000072376537 357831295 /nfs/dbraw/zinc/83/12/95/357831295.db2.gz SRCFMXWSCJMFJT-CYBMUJFWSA-N 2 2 275.400 1.663 40 0 CDABLP CNc1nc([C@H]2CCCC[N@@H+]2C)nc2c1CC[NH+](C)C2 ZINC000072376537 357831299 /nfs/dbraw/zinc/83/12/99/357831299.db2.gz SRCFMXWSCJMFJT-CYBMUJFWSA-N 2 2 275.400 1.663 40 0 CDABLP CNc1nc([C@H]2CCCC[N@H+]2C)nc2c1CC[NH+](C)C2 ZINC000072376537 357831303 /nfs/dbraw/zinc/83/13/03/357831303.db2.gz SRCFMXWSCJMFJT-CYBMUJFWSA-N 2 2 275.400 1.663 40 0 CDABLP Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c[nH+]3)C2=O)cc1 ZINC000017024527 357617636 /nfs/dbraw/zinc/61/76/36/357617636.db2.gz TTWFLOZHCSYQOB-AWEZNQCLSA-N 2 2 298.346 1.182 40 0 CDABLP Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH+]c[nH]3)C2=O)cc1 ZINC000017024527 357617642 /nfs/dbraw/zinc/61/76/42/357617642.db2.gz TTWFLOZHCSYQOB-AWEZNQCLSA-N 2 2 298.346 1.182 40 0 CDABLP CCCn1nccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000159984919 372357065 /nfs/dbraw/zinc/35/70/65/372357065.db2.gz VYYKCBGTNSEDMA-UHFFFAOYSA-N 2 2 266.389 1.105 40 0 CDABLP CCn1ncc(C)c1C[NH2+]CCC[NH+]1CCOCC1 ZINC000256051340 190003708 /nfs/dbraw/zinc/00/37/08/190003708.db2.gz ITFPANJFQHRHMX-UHFFFAOYSA-N 2 2 266.389 1.023 40 0 CDABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cncn3C)C2)[nH+]1 ZINC000257219012 190014073 /nfs/dbraw/zinc/01/40/73/190014073.db2.gz DFGKLSCYRUNGON-GFCCVEGCSA-N 2 2 259.357 1.831 40 0 CDABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cncn3C)C2)[nH+]1 ZINC000257219012 190014074 /nfs/dbraw/zinc/01/40/74/190014074.db2.gz DFGKLSCYRUNGON-GFCCVEGCSA-N 2 2 259.357 1.831 40 0 CDABLP C[C@]12CCC[NH2+][C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC000257239559 190017700 /nfs/dbraw/zinc/01/77/00/190017700.db2.gz HPWCPVMMKIAYSP-OCCSQVGLSA-N 2 2 262.357 1.016 40 0 CDABLP NC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(-n2cc[nH+]c2)nc1 ZINC000257300753 190029730 /nfs/dbraw/zinc/02/97/30/190029730.db2.gz RVOTYZZEVZHBBA-CYBMUJFWSA-N 2 2 285.351 1.280 40 0 CDABLP CCOc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1OC ZINC000022075995 171352340 /nfs/dbraw/zinc/35/23/40/171352340.db2.gz NRKWVWVHSZLCHK-GFCCVEGCSA-N 2 2 282.384 1.154 40 0 CDABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2CCO)n1 ZINC000072355672 176375225 /nfs/dbraw/zinc/37/52/25/176375225.db2.gz JZGYFRDFGQTCKH-AWEZNQCLSA-N 2 2 286.379 1.959 40 0 CDABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000072355672 176375227 /nfs/dbraw/zinc/37/52/27/176375227.db2.gz JZGYFRDFGQTCKH-AWEZNQCLSA-N 2 2 286.379 1.959 40 0 CDABLP c1cc(C[N@H+]2CCc3c(C[NH+]4CCCC4)n[nH]c3C2)ccn1 ZINC000096084108 185092877 /nfs/dbraw/zinc/09/28/77/185092877.db2.gz DLYYUBVTHJCREB-UHFFFAOYSA-N 2 2 297.406 1.959 40 0 CDABLP c1cc(C[N@@H+]2CCc3c(C[NH+]4CCCC4)n[nH]c3C2)ccn1 ZINC000096084108 185092879 /nfs/dbraw/zinc/09/28/79/185092879.db2.gz DLYYUBVTHJCREB-UHFFFAOYSA-N 2 2 297.406 1.959 40 0 CDABLP c1cc(C[N@H+]2CCc3c(C[NH+]4CCCC4)[nH]nc3C2)ccn1 ZINC000096084108 185092880 /nfs/dbraw/zinc/09/28/80/185092880.db2.gz DLYYUBVTHJCREB-UHFFFAOYSA-N 2 2 297.406 1.959 40 0 CDABLP c1cc(C[N@@H+]2CCc3c(C[NH+]4CCCC4)[nH]nc3C2)ccn1 ZINC000096084108 185092882 /nfs/dbraw/zinc/09/28/82/185092882.db2.gz DLYYUBVTHJCREB-UHFFFAOYSA-N 2 2 297.406 1.959 40 0 CDABLP Cc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)nc[nH+]1 ZINC000072385521 357832314 /nfs/dbraw/zinc/83/23/14/357832314.db2.gz BPOVIOQVNXLZGR-UHFFFAOYSA-N 2 2 271.368 1.978 40 0 CDABLP C[NH+](C)CCC[NH2+]CC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000026440595 359421708 /nfs/dbraw/zinc/42/17/08/359421708.db2.gz HCBNJBQMOMQHLW-JJRVBVJISA-N 2 2 295.471 1.859 40 0 CDABLP CC[N@@H+]1CCC[C@@](O)(C[NH+](C)Cc2ccc(C)o2)C1 ZINC000041124077 359685760 /nfs/dbraw/zinc/68/57/60/359685760.db2.gz OPZUSJLTPNRDMT-OAHLLOKOSA-N 2 2 266.385 1.867 40 0 CDABLP CC[N@H+]1CCC[C@@](O)(C[NH+](C)Cc2ccc(C)o2)C1 ZINC000041124077 359685766 /nfs/dbraw/zinc/68/57/66/359685766.db2.gz OPZUSJLTPNRDMT-OAHLLOKOSA-N 2 2 266.385 1.867 40 0 CDABLP CC[NH+]1CCC[C@@](O)(C[N@H+](C)Cc2ccc(C)o2)C1 ZINC000041124077 359685772 /nfs/dbraw/zinc/68/57/72/359685772.db2.gz OPZUSJLTPNRDMT-OAHLLOKOSA-N 2 2 266.385 1.867 40 0 CDABLP CC[NH+]1CCC[C@@](O)(C[N@@H+](C)Cc2ccc(C)o2)C1 ZINC000041124077 359685777 /nfs/dbraw/zinc/68/57/77/359685777.db2.gz OPZUSJLTPNRDMT-OAHLLOKOSA-N 2 2 266.385 1.867 40 0 CDABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257204769 190011342 /nfs/dbraw/zinc/01/13/42/190011342.db2.gz AWFDJDAEFWCSMQ-OAHLLOKOSA-N 2 2 286.383 1.598 40 0 CDABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257204769 190011343 /nfs/dbraw/zinc/01/13/43/190011343.db2.gz AWFDJDAEFWCSMQ-OAHLLOKOSA-N 2 2 286.383 1.598 40 0 CDABLP Cc1[nH+]c[nH]c1CN1CCO[C@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257280850 190025257 /nfs/dbraw/zinc/02/52/57/190025257.db2.gz OMQXVPNWXBHSNS-HNNXBMFYSA-N 2 2 287.367 1.577 40 0 CDABLP CC(C)[N@H+](CC[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000079421415 390422559 /nfs/dbraw/zinc/42/25/59/390422559.db2.gz HEDJPLOFGJKJJG-GFCCVEGCSA-N 2 2 250.342 1.496 40 0 CDABLP CC(C)[N@@H+](CC[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000079421415 390422561 /nfs/dbraw/zinc/42/25/61/390422561.db2.gz HEDJPLOFGJKJJG-GFCCVEGCSA-N 2 2 250.342 1.496 40 0 CDABLP Cc1ccnc([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257247212 190019596 /nfs/dbraw/zinc/01/95/96/190019596.db2.gz IXYORPGSABNNKH-CYBMUJFWSA-N 2 2 260.385 1.669 40 0 CDABLP Cc1ccnc([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257247212 190019597 /nfs/dbraw/zinc/01/95/97/190019597.db2.gz IXYORPGSABNNKH-CYBMUJFWSA-N 2 2 260.385 1.669 40 0 CDABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](CC2CC2)CC1 ZINC000096037007 390912045 /nfs/dbraw/zinc/91/20/45/390912045.db2.gz DMBMDHDZZACZTC-UHFFFAOYSA-N 2 2 274.412 1.838 40 0 CDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccoc2)C1 ZINC000096059171 390912284 /nfs/dbraw/zinc/91/22/84/390912284.db2.gz JQBXVHLHZTVIFK-AWEZNQCLSA-N 2 2 274.368 1.670 40 0 CDABLP CCOc1ccc(C[NH2+]CC[NH2+]CCO)cc1OCC ZINC000022076048 171352287 /nfs/dbraw/zinc/35/22/87/171352287.db2.gz JFTLELGJIZAKMV-UHFFFAOYSA-N 2 2 282.384 1.156 40 0 CDABLP CC[N@@H+]1CCC[C@@](O)(C[NH2+]Cc2ccccc2F)C1 ZINC000046087888 175392265 /nfs/dbraw/zinc/39/22/65/175392265.db2.gz RPSNYSMNORUSSR-OAHLLOKOSA-N 2 2 266.360 1.762 40 0 CDABLP CC[N@H+]1CCC[C@@](O)(C[NH2+]Cc2ccccc2F)C1 ZINC000046087888 175392266 /nfs/dbraw/zinc/39/22/66/175392266.db2.gz RPSNYSMNORUSSR-OAHLLOKOSA-N 2 2 266.360 1.762 40 0 CDABLP CNc1ncc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000072398252 176396577 /nfs/dbraw/zinc/39/65/77/176396577.db2.gz LFTDNVBKVJLHEN-UHFFFAOYSA-N 2 2 277.416 1.823 40 0 CDABLP CNc1ncc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000072398252 176396578 /nfs/dbraw/zinc/39/65/78/176396578.db2.gz LFTDNVBKVJLHEN-UHFFFAOYSA-N 2 2 277.416 1.823 40 0 CDABLP c1cncc(C[NH+]2C[C@H]3C[N@H+](CC4CC4)C[C@H]3C2)c1 ZINC000096110637 185100449 /nfs/dbraw/zinc/10/04/49/185100449.db2.gz BAWMYWGYJPVUOM-IYBDPMFKSA-N 2 2 257.381 1.855 40 0 CDABLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](CC4CC4)C[C@H]3C2)c1 ZINC000096110637 185100451 /nfs/dbraw/zinc/10/04/51/185100451.db2.gz BAWMYWGYJPVUOM-IYBDPMFKSA-N 2 2 257.381 1.855 40 0 CDABLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096110637 185100453 /nfs/dbraw/zinc/10/04/53/185100453.db2.gz BAWMYWGYJPVUOM-IYBDPMFKSA-N 2 2 257.381 1.855 40 0 CDABLP c1cncc(C[N@H+]2C[C@H]3C[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096110637 185100455 /nfs/dbraw/zinc/10/04/55/185100455.db2.gz BAWMYWGYJPVUOM-IYBDPMFKSA-N 2 2 257.381 1.855 40 0 CDABLP C[NH+]1CCC([N@@H+]2CCOC[C@@H](Cc3ccncn3)C2)CC1 ZINC000257257525 362580929 /nfs/dbraw/zinc/58/09/29/362580929.db2.gz KQAMFQCPORNISQ-AWEZNQCLSA-N 2 2 290.411 1.062 40 0 CDABLP C[NH+]1CCC([N@H+]2CCOC[C@@H](Cc3ccncn3)C2)CC1 ZINC000257257525 362580934 /nfs/dbraw/zinc/58/09/34/362580934.db2.gz KQAMFQCPORNISQ-AWEZNQCLSA-N 2 2 290.411 1.062 40 0 CDABLP Cc1c[nH]c([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000257330362 362587041 /nfs/dbraw/zinc/58/70/41/362587041.db2.gz XOBAEPIRNPEXIE-CYBMUJFWSA-N 2 2 276.384 1.520 40 0 CDABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000257330362 362587042 /nfs/dbraw/zinc/58/70/42/362587042.db2.gz XOBAEPIRNPEXIE-CYBMUJFWSA-N 2 2 276.384 1.520 40 0 CDABLP C[NH+]1CCC(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000073099197 357865589 /nfs/dbraw/zinc/86/55/89/357865589.db2.gz DSHJCESPCONCIZ-UHFFFAOYSA-N 2 2 298.390 1.830 40 0 CDABLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257267600 190023019 /nfs/dbraw/zinc/02/30/19/190023019.db2.gz MIADDTNSEAIRRK-LSDHHAIUSA-N 2 2 290.411 1.654 40 0 CDABLP [NH3+][C@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCCC3)C1 ZINC000096516997 390531949 /nfs/dbraw/zinc/53/19/49/390531949.db2.gz GXJIBPAFDKPWNR-NSHDSACASA-N 2 2 258.369 1.770 40 0 CDABLP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161620 358711016 /nfs/dbraw/zinc/71/10/16/358711016.db2.gz VLCATNIEXPNVJW-IJEWVQPXSA-N 2 2 273.380 1.234 40 0 CDABLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161620 358711017 /nfs/dbraw/zinc/71/10/17/358711017.db2.gz VLCATNIEXPNVJW-IJEWVQPXSA-N 2 2 273.380 1.234 40 0 CDABLP c1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161620 358711019 /nfs/dbraw/zinc/71/10/19/358711019.db2.gz VLCATNIEXPNVJW-IJEWVQPXSA-N 2 2 273.380 1.234 40 0 CDABLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161620 358711020 /nfs/dbraw/zinc/71/10/20/358711020.db2.gz VLCATNIEXPNVJW-IJEWVQPXSA-N 2 2 273.380 1.234 40 0 CDABLP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161622 358711386 /nfs/dbraw/zinc/71/13/86/358711386.db2.gz VLCATNIEXPNVJW-LZWOXQAQSA-N 2 2 273.380 1.234 40 0 CDABLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161622 358711392 /nfs/dbraw/zinc/71/13/92/358711392.db2.gz VLCATNIEXPNVJW-LZWOXQAQSA-N 2 2 273.380 1.234 40 0 CDABLP c1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161622 358711395 /nfs/dbraw/zinc/71/13/95/358711395.db2.gz VLCATNIEXPNVJW-LZWOXQAQSA-N 2 2 273.380 1.234 40 0 CDABLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4CCOC4)C[C@@H]3C2)nc1 ZINC000096161622 358711402 /nfs/dbraw/zinc/71/14/02/358711402.db2.gz VLCATNIEXPNVJW-LZWOXQAQSA-N 2 2 273.380 1.234 40 0 CDABLP Cc1c(C[NH2+]CCC[NH+](C)C)cnn1CC(F)F ZINC000256050624 190002925 /nfs/dbraw/zinc/00/29/25/190002925.db2.gz FVPWCXQZQQHOOP-UHFFFAOYSA-N 2 2 260.332 1.498 40 0 CDABLP Cc1c[nH]c([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)[nH+]1 ZINC000257311302 190032181 /nfs/dbraw/zinc/03/21/81/190032181.db2.gz UIVUZHWNGHPJDF-CYBMUJFWSA-N 2 2 276.384 1.520 40 0 CDABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072350493 176373463 /nfs/dbraw/zinc/37/34/63/176373463.db2.gz LSABXAMZAKMHLN-GFCCVEGCSA-N 2 2 257.341 1.780 40 0 CDABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072350493 176373464 /nfs/dbraw/zinc/37/34/64/176373464.db2.gz LSABXAMZAKMHLN-GFCCVEGCSA-N 2 2 257.341 1.780 40 0 CDABLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC[NH3+])CC1 ZINC000079414546 356993443 /nfs/dbraw/zinc/99/34/43/356993443.db2.gz KEJOSBVESHCZPS-UHFFFAOYSA-N 3 2 261.413 1.789 40 0 CDABLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[NH3+])CC1 ZINC000079414546 356993444 /nfs/dbraw/zinc/99/34/44/356993444.db2.gz KEJOSBVESHCZPS-UHFFFAOYSA-N 3 2 261.413 1.789 40 0 CDABLP Cc1cc[nH+]c(N2CC[NH+](CCOCC(F)F)CC2)c1 ZINC000225546796 375162638 /nfs/dbraw/zinc/16/26/38/375162638.db2.gz BRSAMHPJZYCINY-UHFFFAOYSA-N 2 2 285.338 1.794 40 0 CDABLP c1cc(C[N@H+]2CCC3(C[NH+](CC4CC4)C3)C2)ccn1 ZINC000096046430 185071417 /nfs/dbraw/zinc/07/14/17/185071417.db2.gz MTFNDCXHRJZAIV-UHFFFAOYSA-N 2 2 257.381 1.999 40 0 CDABLP c1cc(C[N@@H+]2CCC3(C[NH+](CC4CC4)C3)C2)ccn1 ZINC000096046430 185071419 /nfs/dbraw/zinc/07/14/19/185071419.db2.gz MTFNDCXHRJZAIV-UHFFFAOYSA-N 2 2 257.381 1.999 40 0 CDABLP C[NH+](C)C[C@]12COC[C@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096108242 185099876 /nfs/dbraw/zinc/09/98/76/185099876.db2.gz PPJNOSWZCAGESI-ZBFHGGJFSA-N 2 2 278.371 1.836 40 0 CDABLP C[NH+](C)C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096108242 185099878 /nfs/dbraw/zinc/09/98/78/185099878.db2.gz PPJNOSWZCAGESI-ZBFHGGJFSA-N 2 2 278.371 1.836 40 0 CDABLP C[N@H+](CC[NH3+])C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079390945 356988717 /nfs/dbraw/zinc/98/87/17/356988717.db2.gz PVRVENGUPAYRLQ-OAHLLOKOSA-N 2 2 291.395 1.678 40 0 CDABLP C[N@@H+](CC[NH3+])C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079390945 356988721 /nfs/dbraw/zinc/98/87/21/356988721.db2.gz PVRVENGUPAYRLQ-OAHLLOKOSA-N 2 2 291.395 1.678 40 0 CDABLP c1coc(C[N@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)c1 ZINC000096196979 358715861 /nfs/dbraw/zinc/71/58/61/358715861.db2.gz ZDFONVFMDINQLC-UHFFFAOYSA-N 2 2 298.350 1.174 40 0 CDABLP c1coc(C[N@@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)c1 ZINC000096196979 358715866 /nfs/dbraw/zinc/71/58/66/358715866.db2.gz ZDFONVFMDINQLC-UHFFFAOYSA-N 2 2 298.350 1.174 40 0 CDABLP C[NH2+]CS(=O)(=O)c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC000021983779 171344645 /nfs/dbraw/zinc/34/46/45/171344645.db2.gz YRZSBHPYAXTOFI-UHFFFAOYSA-N 2 2 295.408 1.223 40 0 CDABLP C[NH+](C)CC[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000089212817 282105767 /nfs/dbraw/zinc/10/57/67/282105767.db2.gz IKALCVDTMSBHNP-CYBMUJFWSA-N 2 2 285.432 1.927 40 0 CDABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccc(Br)c1 ZINC000022075399 171352058 /nfs/dbraw/zinc/35/20/58/171352058.db2.gz WLYFWSGOILMYTK-JTQLQIEISA-N 2 2 287.201 1.509 40 0 CDABLP C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096107934 277124107 /nfs/dbraw/zinc/12/41/07/277124107.db2.gz DTRBNXWHPKSOOA-DZGCQCFKSA-N 2 2 264.344 1.588 40 0 CDABLP C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096107934 277124109 /nfs/dbraw/zinc/12/41/09/277124109.db2.gz DTRBNXWHPKSOOA-DZGCQCFKSA-N 2 2 264.344 1.588 40 0 CDABLP C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096107934 277124110 /nfs/dbraw/zinc/12/41/10/277124110.db2.gz DTRBNXWHPKSOOA-DZGCQCFKSA-N 2 2 264.344 1.588 40 0 CDABLP C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096107934 277124111 /nfs/dbraw/zinc/12/41/11/277124111.db2.gz DTRBNXWHPKSOOA-DZGCQCFKSA-N 2 2 264.344 1.588 40 0 CDABLP c1c[nH]c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)n1 ZINC000067667118 526405846 /nfs/dbraw/zinc/40/58/46/526405846.db2.gz GSCIDYSFXGJLSA-UHFFFAOYSA-N 2 2 286.379 1.532 40 0 CDABLP C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2)Cc2c[nH+]cn21 ZINC000248070909 282127333 /nfs/dbraw/zinc/12/73/33/282127333.db2.gz AVQCMTILDCYTMU-CQSZACIVSA-N 2 2 285.351 1.037 40 0 CDABLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257231857 362578993 /nfs/dbraw/zinc/57/89/93/362578993.db2.gz GIKYQHPIQIFGEB-AWEZNQCLSA-N 2 2 299.378 1.372 40 0 CDABLP OCC[NH2+]CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000023255787 356637816 /nfs/dbraw/zinc/63/78/16/356637816.db2.gz DJCUIRPTLUEIBG-UHFFFAOYSA-N 2 2 263.168 1.665 40 0 CDABLP CN(C[C@@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408376 356992619 /nfs/dbraw/zinc/99/26/19/356992619.db2.gz FYDFWGBPQLCRFA-LBPRGKRZSA-N 2 2 271.405 1.667 40 0 CDABLP CN(C[C@@H]1CCCC[N@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408376 356992621 /nfs/dbraw/zinc/99/26/21/356992621.db2.gz FYDFWGBPQLCRFA-LBPRGKRZSA-N 2 2 271.405 1.667 40 0 CDABLP CN(C[C@@H]1CC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411474 356993641 /nfs/dbraw/zinc/99/36/41/356993641.db2.gz SIMGLOBWRUDRNJ-HNNXBMFYSA-N 2 2 291.395 1.536 40 0 CDABLP CN(C[C@@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411474 356993642 /nfs/dbraw/zinc/99/36/42/356993642.db2.gz SIMGLOBWRUDRNJ-HNNXBMFYSA-N 2 2 291.395 1.536 40 0 CDABLP CCN(CC)c1cc(N2CCC[C@H]([NH2+]C)C2)nc[nH+]1 ZINC000079440082 358069746 /nfs/dbraw/zinc/06/97/46/358069746.db2.gz KAKCSGJYXYNDKU-LBPRGKRZSA-N 2 2 263.389 1.511 40 0 CDABLP CCCn1nc(C)cc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000256052077 190004323 /nfs/dbraw/zinc/00/43/23/190004323.db2.gz LUYRYIXDIBIPBN-UHFFFAOYSA-N 2 2 280.416 1.413 40 0 CDABLP C[NH+](C)CC[C@H]1C[N@H+](Cc2cccnc2)Cc2ccnn21 ZINC000306128847 392106458 /nfs/dbraw/zinc/10/64/58/392106458.db2.gz HMLBIAFDPZHHEG-INIZCTEOSA-N 2 2 285.395 1.787 40 0 CDABLP C[NH+](C)CC[C@H]1C[N@@H+](Cc2cccnc2)Cc2ccnn21 ZINC000306128847 392106466 /nfs/dbraw/zinc/10/64/66/392106466.db2.gz HMLBIAFDPZHHEG-INIZCTEOSA-N 2 2 285.395 1.787 40 0 CDABLP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[NH2+]CC1 ZINC000064875922 374240939 /nfs/dbraw/zinc/24/09/39/374240939.db2.gz MEIHIMTXWAKCST-ZDUSSCGKSA-N 2 2 284.787 1.375 40 0 CDABLP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[NH2+]CC1 ZINC000064875922 374240947 /nfs/dbraw/zinc/24/09/47/374240947.db2.gz MEIHIMTXWAKCST-ZDUSSCGKSA-N 2 2 284.787 1.375 40 0 CDABLP C[NH+](C)Cc1cnc([C@H]2CC[N@H+](Cc3cncs3)C2)[nH]1 ZINC000257205195 190011839 /nfs/dbraw/zinc/01/18/39/190011839.db2.gz AYAOZFHTKARGNR-NSHDSACASA-N 2 2 291.424 1.917 40 0 CDABLP C[NH+](C)Cc1cnc([C@H]2CC[N@@H+](Cc3cncs3)C2)[nH]1 ZINC000257205195 190011840 /nfs/dbraw/zinc/01/18/40/190011840.db2.gz AYAOZFHTKARGNR-NSHDSACASA-N 2 2 291.424 1.917 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@H]2CC[N@H+](Cc3cncs3)C2)n1 ZINC000257205195 190011841 /nfs/dbraw/zinc/01/18/41/190011841.db2.gz AYAOZFHTKARGNR-NSHDSACASA-N 2 2 291.424 1.917 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cncs3)C2)n1 ZINC000257205195 190011842 /nfs/dbraw/zinc/01/18/42/190011842.db2.gz AYAOZFHTKARGNR-NSHDSACASA-N 2 2 291.424 1.917 40 0 CDABLP CCOc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1OC ZINC000022075997 171352001 /nfs/dbraw/zinc/35/20/01/171352001.db2.gz NRKWVWVHSZLCHK-LBPRGKRZSA-N 2 2 282.384 1.154 40 0 CDABLP Cc1[nH+]cc(-c2cc([C@@H]3CC[NH2+]C3)nc(C)n2)n1C ZINC000257256380 282139825 /nfs/dbraw/zinc/13/98/25/282139825.db2.gz KLFLNFBPYQKGBN-LLVKDONJSA-N 2 2 257.341 1.571 40 0 CDABLP C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081297685 358120537 /nfs/dbraw/zinc/12/05/37/358120537.db2.gz WMIQYRZFOJDKPI-HNNXBMFYSA-N 2 2 298.390 1.830 40 0 CDABLP C[N@H+]1CCC[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081297685 358120538 /nfs/dbraw/zinc/12/05/38/358120538.db2.gz WMIQYRZFOJDKPI-HNNXBMFYSA-N 2 2 298.390 1.830 40 0 CDABLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC000131907875 375376959 /nfs/dbraw/zinc/37/69/59/375376959.db2.gz NQHNKHILLJEQLQ-CYBMUJFWSA-N 2 2 294.399 1.824 40 0 CDABLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC000131907875 375376964 /nfs/dbraw/zinc/37/69/64/375376964.db2.gz NQHNKHILLJEQLQ-CYBMUJFWSA-N 2 2 294.399 1.824 40 0 CDABLP CCn1cc(C[N@@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257263751 190022744 /nfs/dbraw/zinc/02/27/44/190022744.db2.gz LRHGHAMJOYBGAB-CYBMUJFWSA-N 2 2 259.357 1.924 40 0 CDABLP CCn1cc(C[N@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257263751 190022745 /nfs/dbraw/zinc/02/27/45/190022745.db2.gz LRHGHAMJOYBGAB-CYBMUJFWSA-N 2 2 259.357 1.924 40 0 CDABLP CC(=O)N1CCC([N@@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257298216 190028919 /nfs/dbraw/zinc/02/89/19/190028919.db2.gz RKRDSYRNYFEVNQ-AWEZNQCLSA-N 2 2 290.411 1.908 40 0 CDABLP CC(=O)N1CCC([N@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257298216 190028920 /nfs/dbraw/zinc/02/89/20/190028920.db2.gz RKRDSYRNYFEVNQ-AWEZNQCLSA-N 2 2 290.411 1.908 40 0 CDABLP CC[NH+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000038859046 174157808 /nfs/dbraw/zinc/15/78/08/174157808.db2.gz CMHNFGJMQXWMQY-UHFFFAOYSA-N 2 2 298.390 1.709 40 0 CDABLP C[NH+](C)CC[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000089212819 289165037 /nfs/dbraw/zinc/16/50/37/289165037.db2.gz IKALCVDTMSBHNP-ZDUSSCGKSA-N 2 2 285.432 1.927 40 0 CDABLP Cc1[nH+]cc(CNc2ccc(N3CCOCC3)c[nH+]2)n1C ZINC000574651561 295035175 /nfs/dbraw/zinc/03/51/75/295035175.db2.gz NUXSRCRAOCGQBA-UHFFFAOYSA-N 2 2 287.367 1.572 40 0 CDABLP C[C@H]1C[C@H]([NH2+]Cc2nncn2-c2ccccc2)CC[N@@H+]1C ZINC000152621779 188032823 /nfs/dbraw/zinc/03/28/23/188032823.db2.gz BNZSPDSGMKDABE-UONOGXRCSA-N 2 2 285.395 1.840 40 0 CDABLP C[C@H]1C[C@H]([NH2+]Cc2nncn2-c2ccccc2)CC[N@H+]1C ZINC000152621779 188032824 /nfs/dbraw/zinc/03/28/24/188032824.db2.gz BNZSPDSGMKDABE-UONOGXRCSA-N 2 2 285.395 1.840 40 0 CDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccco2)C1 ZINC000096059170 358707519 /nfs/dbraw/zinc/70/75/19/358707519.db2.gz IABUOIACKWRZPI-CYBMUJFWSA-N 2 2 274.368 1.670 40 0 CDABLP Cc1csc(C[N@H+]2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)n1 ZINC000096207964 358720627 /nfs/dbraw/zinc/72/06/27/358720627.db2.gz DLLPFGWBVYOPCN-OCCSQVGLSA-N 2 2 281.425 1.462 40 0 CDABLP Cc1csc(C[N@@H+]2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)n1 ZINC000096207964 358720629 /nfs/dbraw/zinc/72/06/29/358720629.db2.gz DLLPFGWBVYOPCN-OCCSQVGLSA-N 2 2 281.425 1.462 40 0 CDABLP Cn1ncc(C[NH2+]CCC[NH+](C)C)c1C(F)(F)F ZINC000256050336 190002899 /nfs/dbraw/zinc/00/28/99/190002899.db2.gz DQQOQEFZJGDRQC-UHFFFAOYSA-N 2 2 264.295 1.480 40 0 CDABLP Cc1nc(N2CC[NH2+]C[C@@H]2c2ccccc2)cc[nH+]1 ZINC000257290195 302709579 /nfs/dbraw/zinc/70/95/79/302709579.db2.gz QBYRCJTYOMBPSD-CQSZACIVSA-N 2 2 254.337 1.936 40 0 CDABLP O=C(C[NH+]1CCCC1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257221880 362578404 /nfs/dbraw/zinc/57/84/04/362578404.db2.gz DQYAJNDTKHQGOE-AWEZNQCLSA-N 2 2 288.395 1.262 40 0 CDABLP Cc1cc(N2CC[NH2+]CC2)nc(Cc2ccccc2)[nH+]1 ZINC000225321337 359576289 /nfs/dbraw/zinc/57/62/89/359576289.db2.gz ALDYVHDULCCNDC-UHFFFAOYSA-N 2 2 268.364 1.785 40 0 CDABLP C[NH+](C)CC[C@@H]1C[N@H+](Cc2cccnc2)Cc2ccnn21 ZINC000306128848 374968231 /nfs/dbraw/zinc/96/82/31/374968231.db2.gz HMLBIAFDPZHHEG-MRXNPFEDSA-N 2 2 285.395 1.787 40 0 CDABLP C[NH+](C)CC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2ccnn21 ZINC000306128848 374968235 /nfs/dbraw/zinc/96/82/35/374968235.db2.gz HMLBIAFDPZHHEG-MRXNPFEDSA-N 2 2 285.395 1.787 40 0 CDABLP COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1[nH]cc[nH+]1 ZINC000257254074 190020932 /nfs/dbraw/zinc/02/09/32/190020932.db2.gz KBLKKOQPMYUKIY-ZDUSSCGKSA-N 2 2 272.352 1.565 40 0 CDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccccn2)C1 ZINC000096059179 390912350 /nfs/dbraw/zinc/91/23/50/390912350.db2.gz QBHKKWHHZXHFOS-AWEZNQCLSA-N 2 2 285.395 1.472 40 0 CDABLP CN(CC1CC[NH+](CC[NH3+])CC1)C(=O)OC(C)(C)C ZINC000079408401 356991960 /nfs/dbraw/zinc/99/19/60/356991960.db2.gz KWCIKMBORCMPHT-UHFFFAOYSA-N 2 2 271.405 1.524 40 0 CDABLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)nc1 ZINC000096207292 358720096 /nfs/dbraw/zinc/72/00/96/358720096.db2.gz ZQNSZYRDUMRWFU-DOTOQJQBSA-N 2 2 287.407 1.624 40 0 CDABLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CC4)CCO[C@@H]3C2)nc1 ZINC000096207292 358720098 /nfs/dbraw/zinc/72/00/98/358720098.db2.gz ZQNSZYRDUMRWFU-DOTOQJQBSA-N 2 2 287.407 1.624 40 0 CDABLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CC4)CCO[C@@H]3C2)nc1 ZINC000096207292 358720100 /nfs/dbraw/zinc/72/01/00/358720100.db2.gz ZQNSZYRDUMRWFU-DOTOQJQBSA-N 2 2 287.407 1.624 40 0 CDABLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CC4)CCO[C@@H]3C2)nc1 ZINC000096207292 358720101 /nfs/dbraw/zinc/72/01/01/358720101.db2.gz ZQNSZYRDUMRWFU-DOTOQJQBSA-N 2 2 287.407 1.624 40 0 CDABLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC000306124505 374967514 /nfs/dbraw/zinc/96/75/14/374967514.db2.gz BRWSGSLHBLAZRB-HNNXBMFYSA-N 2 2 279.384 1.493 40 0 CDABLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC000306124505 374967521 /nfs/dbraw/zinc/96/75/21/374967521.db2.gz BRWSGSLHBLAZRB-HNNXBMFYSA-N 2 2 279.384 1.493 40 0 CDABLP CC(C)n1nccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000256053024 190004261 /nfs/dbraw/zinc/00/42/61/190004261.db2.gz PRQDPFKXXWALDF-UHFFFAOYSA-N 2 2 266.389 1.276 40 0 CDABLP CC[N@@H+]1CCC[C@](O)(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000046087457 175391703 /nfs/dbraw/zinc/39/17/03/175391703.db2.gz WXKCFHMOMCMXJD-INIZCTEOSA-N 2 2 292.379 1.352 40 0 CDABLP CC[N@H+]1CCC[C@](O)(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000046087457 175391705 /nfs/dbraw/zinc/39/17/05/175391705.db2.gz WXKCFHMOMCMXJD-INIZCTEOSA-N 2 2 292.379 1.352 40 0 CDABLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2C1 ZINC000107800696 186191965 /nfs/dbraw/zinc/19/19/65/186191965.db2.gz NQUOQZQZIHOLRM-GLQYFDAESA-N 2 2 293.411 1.426 40 0 CDABLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC000107800696 186191966 /nfs/dbraw/zinc/19/19/66/186191966.db2.gz NQUOQZQZIHOLRM-GLQYFDAESA-N 2 2 293.411 1.426 40 0 CDABLP Cc1noc(C)c1C[N@H+]1CC[C@@H]2C[NH+](C[C@H](C)O)C[C@@H]2C1 ZINC000107800696 186191968 /nfs/dbraw/zinc/19/19/68/186191968.db2.gz NQUOQZQZIHOLRM-GLQYFDAESA-N 2 2 293.411 1.426 40 0 CDABLP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](C)O)C[C@@H]2C1 ZINC000107800696 186191969 /nfs/dbraw/zinc/19/19/69/186191969.db2.gz NQUOQZQZIHOLRM-GLQYFDAESA-N 2 2 293.411 1.426 40 0 CDABLP Cc1nc(C)c2c(n1)CC[N@@H+](Cc1c[nH+]cn1C)CC2 ZINC000096254519 358728040 /nfs/dbraw/zinc/72/80/40/358728040.db2.gz IJFDKVQTQZVVFR-UHFFFAOYSA-N 2 2 271.368 1.428 40 0 CDABLP Cc1nc(C)c2c(n1)CC[N@H+](Cc1c[nH+]cn1C)CC2 ZINC000096254519 358728043 /nfs/dbraw/zinc/72/80/43/358728043.db2.gz IJFDKVQTQZVVFR-UHFFFAOYSA-N 2 2 271.368 1.428 40 0 CDABLP COc1ccccc1NC(=O)C[NH2+]CCC[NH+](C)C ZINC000020054153 360125421 /nfs/dbraw/zinc/12/54/21/360125421.db2.gz WOKXLZWFNYVDCM-UHFFFAOYSA-N 2 2 265.357 1.175 40 0 CDABLP CCOCC[N@@H+]1CCO[C@@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257297716 190029546 /nfs/dbraw/zinc/02/95/46/190029546.db2.gz RIOKBKNJTXJNDI-OAHLLOKOSA-N 2 2 279.384 1.842 40 0 CDABLP CCOCC[N@H+]1CCO[C@@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257297716 190029547 /nfs/dbraw/zinc/02/95/47/190029547.db2.gz RIOKBKNJTXJNDI-OAHLLOKOSA-N 2 2 279.384 1.842 40 0 CDABLP [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000237968049 131068993 /nfs/dbraw/zinc/06/89/93/131068993.db2.gz IKSCGTWUIKLIEA-HNNXBMFYSA-N 2 2 284.363 1.495 40 0 CDABLP COc1ccccc1C(=O)C(C[NH+](C)C)C[NH+](C)C ZINC000001589117 355940764 /nfs/dbraw/zinc/94/07/64/355940764.db2.gz VLFQHWPLLDNTCF-UHFFFAOYSA-N 2 2 264.369 1.617 40 0 CDABLP CN(C[C@H]1CCC[N@@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408350 356992739 /nfs/dbraw/zinc/99/27/39/356992739.db2.gz AOUZPYZIJKOOKE-LLVKDONJSA-N 2 2 257.378 1.276 40 0 CDABLP CN(C[C@H]1CCC[N@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408350 356992742 /nfs/dbraw/zinc/99/27/42/356992742.db2.gz AOUZPYZIJKOOKE-LLVKDONJSA-N 2 2 257.378 1.276 40 0 CDABLP Nc1cc(CC[C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc[nH+]1 ZINC000257301461 190030669 /nfs/dbraw/zinc/03/06/69/190030669.db2.gz RYNKCWGRYPYRLR-ZDUSSCGKSA-N 2 2 287.367 1.221 40 0 CDABLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+]CCC[NH+](C)C ZINC000004969386 170046836 /nfs/dbraw/zinc/04/68/36/170046836.db2.gz UHADFEGDTOFTLP-BETUJISGSA-N 2 2 255.406 1.317 40 0 CDABLP Cc1cc[nH+]c(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c1 ZINC000329515858 136379939 /nfs/dbraw/zinc/37/99/39/136379939.db2.gz DHQZANKJFQIUPU-UHFFFAOYSA-N 2 2 299.378 1.395 40 0 CDABLP Cc1cc[nH+]c(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c1 ZINC000329515858 136379940 /nfs/dbraw/zinc/37/99/40/136379940.db2.gz DHQZANKJFQIUPU-UHFFFAOYSA-N 2 2 299.378 1.395 40 0 CDABLP c1cn2c([nH+]1)C[C@@H]1C[N@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306124247 374967635 /nfs/dbraw/zinc/96/76/35/374967635.db2.gz BKLCJVNESLNMKC-ZIAGYGMSSA-N 2 2 254.337 1.582 40 0 CDABLP c1cn2c([nH+]1)C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306124247 374967641 /nfs/dbraw/zinc/96/76/41/374967641.db2.gz BKLCJVNESLNMKC-ZIAGYGMSSA-N 2 2 254.337 1.582 40 0 CDABLP [NH3+]C1CC[NH+](Cc2cc(=O)oc3ccccc23)CC1 ZINC000096517062 390532132 /nfs/dbraw/zinc/53/21/32/390532132.db2.gz YUWKKDJHYCGKOY-UHFFFAOYSA-N 2 2 258.321 1.716 40 0 CDABLP Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)o1 ZINC000096108239 185099388 /nfs/dbraw/zinc/09/93/88/185099388.db2.gz IFBXRXKFHUWKOA-HIFRSBDPSA-N 2 2 264.369 1.598 40 0 CDABLP Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)o1 ZINC000096108239 185099390 /nfs/dbraw/zinc/09/93/90/185099390.db2.gz IFBXRXKFHUWKOA-HIFRSBDPSA-N 2 2 264.369 1.598 40 0 CDABLP C[NH+](C)CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030946692 356757914 /nfs/dbraw/zinc/75/79/14/356757914.db2.gz LMEIQZVSVJIHFA-UHFFFAOYSA-N 2 2 286.379 1.613 40 0 CDABLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3scnc3C)C[C@@H]2C1 ZINC000096219595 358722456 /nfs/dbraw/zinc/72/24/56/358722456.db2.gz WAKXXDGTDIKCAF-QWHCGFSZSA-N 2 2 281.425 1.604 40 0 CDABLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3scnc3C)C[C@@H]2C1 ZINC000096219595 358722458 /nfs/dbraw/zinc/72/24/58/358722458.db2.gz WAKXXDGTDIKCAF-QWHCGFSZSA-N 2 2 281.425 1.604 40 0 CDABLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3scnc3C)C[C@@H]2C1 ZINC000096219595 358722460 /nfs/dbraw/zinc/72/24/60/358722460.db2.gz WAKXXDGTDIKCAF-QWHCGFSZSA-N 2 2 281.425 1.604 40 0 CDABLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3scnc3C)C[C@@H]2C1 ZINC000096219595 358722463 /nfs/dbraw/zinc/72/24/63/358722463.db2.gz WAKXXDGTDIKCAF-QWHCGFSZSA-N 2 2 281.425 1.604 40 0 CDABLP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000079351807 374795415 /nfs/dbraw/zinc/79/54/15/374795415.db2.gz CATMOQWUUWEMTL-CQSZACIVSA-N 2 2 278.400 1.654 40 0 CDABLP CCC[N@H+]1CCCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000079351807 374795419 /nfs/dbraw/zinc/79/54/19/374795419.db2.gz CATMOQWUUWEMTL-CQSZACIVSA-N 2 2 278.400 1.654 40 0 CDABLP CC(C)Cn1nccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000256052138 190004391 /nfs/dbraw/zinc/00/43/91/190004391.db2.gz MBAQMJABNITNFE-UHFFFAOYSA-N 2 2 280.416 1.351 40 0 CDABLP Cc1cc(CC2CC[NH+](CC(=O)N(C)C)CC2)cc[nH+]1 ZINC000257259188 190021492 /nfs/dbraw/zinc/02/14/92/190021492.db2.gz KXFWTQVEGUSZGY-UHFFFAOYSA-N 2 2 275.396 1.733 40 0 CDABLP Cc1[nH+]cc(-c2nccnc2C[C@@H]2CC[NH2+]C2)n1C ZINC000257298193 190029506 /nfs/dbraw/zinc/02/95/06/190029506.db2.gz RKOGPHZEKDVVKI-NSHDSACASA-N 2 2 257.341 1.338 40 0 CDABLP CSc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1 ZINC000022074885 171351923 /nfs/dbraw/zinc/35/19/23/171351923.db2.gz IDKDDQCUUGURJD-LLVKDONJSA-N 2 2 254.399 1.469 40 0 CDABLP COc1ccc2ccccc2c1C[NH2+]CC[NH2+]CCO ZINC000022076119 171352232 /nfs/dbraw/zinc/35/22/32/171352232.db2.gz RZRWQGOSYQJUJR-UHFFFAOYSA-N 2 2 274.364 1.520 40 0 CDABLP C[NH+](C)C[C@]12COC[C@H]1C[N@H+](Cc1ccccn1)C2 ZINC000096108245 185099680 /nfs/dbraw/zinc/09/96/80/185099680.db2.gz YCCQBSDSSUMODN-HIFRSBDPSA-N 2 2 261.369 1.092 40 0 CDABLP C[NH+](C)C[C@]12COC[C@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000096108245 185099681 /nfs/dbraw/zinc/09/96/81/185099681.db2.gz YCCQBSDSSUMODN-HIFRSBDPSA-N 2 2 261.369 1.092 40 0 CDABLP CCn1ncc(C[NH2+]CCC[NH+](CC)CC)c1F ZINC000256055091 190005701 /nfs/dbraw/zinc/00/57/01/190005701.db2.gz ZDDRKSYHUOIAEF-UHFFFAOYSA-N 2 2 256.369 1.864 40 0 CDABLP C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2c[nH+]c[nH]2)n1 ZINC000257222316 190014979 /nfs/dbraw/zinc/01/49/79/190014979.db2.gz DSVCLWFJZZECCD-CQSZACIVSA-N 2 2 286.383 1.598 40 0 CDABLP CCN(C)c1[nH+]cnc2c1cnn2C1CC[NH2+]CC1 ZINC000228934375 570372924 /nfs/dbraw/zinc/37/29/24/570372924.db2.gz RFBHUEGYRFCPDO-UHFFFAOYSA-N 2 2 260.345 1.207 40 0 CDABLP CN1[C@H](C[NH+](C)C)C[C@@H]2C[N@H+](Cc3nccs3)CC[C@@H]21 ZINC000096185548 358713585 /nfs/dbraw/zinc/71/35/85/358713585.db2.gz HXWXEALJLMONTB-RDBSUJKOSA-N 2 2 294.468 1.599 40 0 CDABLP CN1[C@H](C[NH+](C)C)C[C@@H]2C[N@@H+](Cc3nccs3)CC[C@@H]21 ZINC000096185548 358713591 /nfs/dbraw/zinc/71/35/91/358713591.db2.gz HXWXEALJLMONTB-RDBSUJKOSA-N 2 2 294.468 1.599 40 0 CDABLP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000064875917 374241253 /nfs/dbraw/zinc/24/12/53/374241253.db2.gz AOPATLMJOOCVIE-AWEZNQCLSA-N 2 2 264.369 1.030 40 0 CDABLP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000064875917 374241258 /nfs/dbraw/zinc/24/12/58/374241258.db2.gz AOPATLMJOOCVIE-AWEZNQCLSA-N 2 2 264.369 1.030 40 0 CDABLP CCN(CC)c1cc(N2CCC(C[NH3+])CC2)nc[nH+]1 ZINC000079440232 374407177 /nfs/dbraw/zinc/40/71/77/374407177.db2.gz ZTMQLZRWSKPTED-UHFFFAOYSA-N 2 2 263.389 1.498 40 0 CDABLP CCN(CC)c1cc(N2CCC(C[NH3+])CC2)[nH+]cn1 ZINC000079440232 374407181 /nfs/dbraw/zinc/40/71/81/374407181.db2.gz ZTMQLZRWSKPTED-UHFFFAOYSA-N 2 2 263.389 1.498 40 0 CDABLP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](C)CC2)cs1 ZINC000225462964 374464952 /nfs/dbraw/zinc/46/49/52/374464952.db2.gz RQZOUXPAAFRHOM-UHFFFAOYSA-N 2 2 283.441 1.898 40 0 biogenic,in-vitro CDABLP CC(C)[N@H+](CC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000079421418 390422395 /nfs/dbraw/zinc/42/23/95/390422395.db2.gz HEDJPLOFGJKJJG-LBPRGKRZSA-N 2 2 250.342 1.496 40 0 CDABLP CC(C)[N@@H+](CC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000079421418 390422399 /nfs/dbraw/zinc/42/23/99/390422399.db2.gz HEDJPLOFGJKJJG-LBPRGKRZSA-N 2 2 250.342 1.496 40 0 CDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccco2)C1 ZINC000096059169 390912324 /nfs/dbraw/zinc/91/23/24/390912324.db2.gz IABUOIACKWRZPI-ZDUSSCGKSA-N 2 2 274.368 1.670 40 0 CDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2cccnc2)C1 ZINC000096059181 289203301 /nfs/dbraw/zinc/20/33/01/289203301.db2.gz ANFOWCMZAZIUCK-HNNXBMFYSA-N 2 2 285.395 1.472 40 0 CDABLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C)CCO[C@@H]3C2)s1 ZINC000096107926 185100408 /nfs/dbraw/zinc/10/04/08/185100408.db2.gz YZNLHIWWAYPHCB-GXTWGEPZSA-N 2 2 266.410 1.819 40 0 CDABLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)CCO[C@@H]3C2)s1 ZINC000096107926 185100409 /nfs/dbraw/zinc/10/04/09/185100409.db2.gz YZNLHIWWAYPHCB-GXTWGEPZSA-N 2 2 266.410 1.819 40 0 CDABLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)CCO[C@@H]3C2)s1 ZINC000096107926 185100410 /nfs/dbraw/zinc/10/04/10/185100410.db2.gz YZNLHIWWAYPHCB-GXTWGEPZSA-N 2 2 266.410 1.819 40 0 CDABLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](C)CCO[C@@H]3C2)s1 ZINC000096107926 185100411 /nfs/dbraw/zinc/10/04/11/185100411.db2.gz YZNLHIWWAYPHCB-GXTWGEPZSA-N 2 2 266.410 1.819 40 0 CDABLP CC(C)N1C[C@]2(CCC[N@H+](Cc3c[nH+]cn3C)C2)C1=O ZINC000585099524 342212191 /nfs/dbraw/zinc/21/21/91/342212191.db2.gz PQZOLVJMTZFORI-OAHLLOKOSA-N 2 2 276.384 1.253 40 0 CDABLP CC(C)N1C[C@]2(CCC[N@@H+](Cc3c[nH+]cn3C)C2)C1=O ZINC000585099524 342212192 /nfs/dbraw/zinc/21/21/92/342212192.db2.gz PQZOLVJMTZFORI-OAHLLOKOSA-N 2 2 276.384 1.253 40 0 CDABLP Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257280851 190025619 /nfs/dbraw/zinc/02/56/19/190025619.db2.gz OMQXVPNWXBHSNS-OAHLLOKOSA-N 2 2 287.367 1.577 40 0 CDABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000257328605 190034693 /nfs/dbraw/zinc/03/46/93/190034693.db2.gz XGKFOGOBGFJWJK-CYBMUJFWSA-N 2 2 259.357 1.831 40 0 CDABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000257328605 190034694 /nfs/dbraw/zinc/03/46/94/190034694.db2.gz XGKFOGOBGFJWJK-CYBMUJFWSA-N 2 2 259.357 1.831 40 0 CDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccncc2)C1 ZINC000096086773 289218560 /nfs/dbraw/zinc/21/85/60/289218560.db2.gz HHSHNBXVDBNCKT-OAHLLOKOSA-N 2 2 285.395 1.472 40 0 CDABLP CNc1cncc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257261972 362580568 /nfs/dbraw/zinc/58/05/68/362580568.db2.gz LJMPYJRMTJXMIW-AWEZNQCLSA-N 2 2 275.400 1.749 40 0 CDABLP CNc1cncc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257261972 362580571 /nfs/dbraw/zinc/58/05/71/362580571.db2.gz LJMPYJRMTJXMIW-AWEZNQCLSA-N 2 2 275.400 1.749 40 0 CDABLP CC(C)(C)OC(=O)N(C[C@@H]1CC[N@H+](CC[NH3+])C1)C1CC1 ZINC000079408594 356992153 /nfs/dbraw/zinc/99/21/53/356992153.db2.gz XVJZCULGXLAITO-GFCCVEGCSA-N 2 2 283.416 1.667 40 0 CDABLP CC(C)(C)OC(=O)N(C[C@@H]1CC[N@@H+](CC[NH3+])C1)C1CC1 ZINC000079408594 356992155 /nfs/dbraw/zinc/99/21/55/356992155.db2.gz XVJZCULGXLAITO-GFCCVEGCSA-N 2 2 283.416 1.667 40 0 CDABLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](CC1CC1)C2 ZINC000096197243 358715870 /nfs/dbraw/zinc/71/58/70/358715870.db2.gz HKDJMUCMHXIIPY-UHFFFAOYSA-N 2 2 260.385 1.705 40 0 CDABLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](CC1CC1)C2 ZINC000096197243 358715876 /nfs/dbraw/zinc/71/58/76/358715876.db2.gz HKDJMUCMHXIIPY-UHFFFAOYSA-N 2 2 260.385 1.705 40 0 CDABLP CC[NH+](CC)CCC[NH2+]Cc1c(C)nn(C)c1F ZINC000256049975 190003170 /nfs/dbraw/zinc/00/31/70/190003170.db2.gz CCVPBPRKGGESLU-UHFFFAOYSA-N 2 2 256.369 1.689 40 0 CDABLP COc1ccc([C@@H]2C[NH2+]CCN2Cc2c[nH+]c[nH]2)cc1 ZINC000257321968 190033890 /nfs/dbraw/zinc/03/38/90/190033890.db2.gz WECDYXDNKUZSFD-HNNXBMFYSA-N 2 2 272.352 1.565 40 0 CDABLP COc1ccc([C@@H]2C[NH2+]CCN2Cc2c[nH]c[nH+]2)cc1 ZINC000257321968 190033891 /nfs/dbraw/zinc/03/38/91/190033891.db2.gz WECDYXDNKUZSFD-HNNXBMFYSA-N 2 2 272.352 1.565 40 0 CDABLP Cc1c[nH]c([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000257330363 190034799 /nfs/dbraw/zinc/03/47/99/190034799.db2.gz XOBAEPIRNPEXIE-ZDUSSCGKSA-N 2 2 276.384 1.520 40 0 CDABLP Cc1c[nH]c([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000257330363 190034800 /nfs/dbraw/zinc/03/48/00/190034800.db2.gz XOBAEPIRNPEXIE-ZDUSSCGKSA-N 2 2 276.384 1.520 40 0 CDABLP Cc1nn(C)c(C)c1CC[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000096523695 390537553 /nfs/dbraw/zinc/53/75/53/390537553.db2.gz IJWPRTBGGVVCFQ-CYBMUJFWSA-N 2 2 250.390 1.263 40 0 CDABLP Cc1nn(C)c(C)c1CC[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000096523695 390537557 /nfs/dbraw/zinc/53/75/57/390537557.db2.gz IJWPRTBGGVVCFQ-CYBMUJFWSA-N 2 2 250.390 1.263 40 0 CDABLP Cc1nn(C)cc1C[N@H+](C)CC1([NH3+])CCCCC1 ZINC000096523883 390537884 /nfs/dbraw/zinc/53/78/84/390537884.db2.gz IHPOJPLFDZHTBS-UHFFFAOYSA-N 2 2 250.390 1.822 40 0 CDABLP Cc1nn(C)cc1C[N@@H+](C)CC1([NH3+])CCCCC1 ZINC000096523883 390537890 /nfs/dbraw/zinc/53/78/90/390537890.db2.gz IHPOJPLFDZHTBS-UHFFFAOYSA-N 2 2 250.390 1.822 40 0 CDABLP CCCNc1ncc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000062718465 391576730 /nfs/dbraw/zinc/57/67/30/391576730.db2.gz AZIOUVISPHSKED-UHFFFAOYSA-N 2 2 251.378 1.340 40 0 CDABLP C(c1noc2c1C[N@H+](C[C@H]1CCOC1)CC2)[NH+]1CCCC1 ZINC000096259730 358729521 /nfs/dbraw/zinc/72/95/21/358729521.db2.gz VEHWFCBHTZNXOD-CYBMUJFWSA-N 2 2 291.395 1.665 40 0 CDABLP C(c1noc2c1C[N@@H+](C[C@H]1CCOC1)CC2)[NH+]1CCCC1 ZINC000096259730 358729522 /nfs/dbraw/zinc/72/95/22/358729522.db2.gz VEHWFCBHTZNXOD-CYBMUJFWSA-N 2 2 291.395 1.665 40 0 CDABLP Cc1cccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)[nH+]1 ZINC000157534051 136396388 /nfs/dbraw/zinc/39/63/88/136396388.db2.gz HCMUEQPGEAZINA-OAHLLOKOSA-N 2 2 275.396 1.939 40 0 CDABLP Cc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)nc(C)[nH+]1 ZINC000072367981 357830930 /nfs/dbraw/zinc/83/09/30/357830930.db2.gz XXKGVUOKGUJBEZ-UHFFFAOYSA-N 2 2 286.383 1.149 40 0 CDABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)c[nH+]1 ZINC000096052082 185074663 /nfs/dbraw/zinc/07/46/63/185074663.db2.gz PKAXKJCIPPEIKT-HZPDHXFCSA-N 2 2 291.395 1.401 40 0 CDABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@H+](CC2CC2)C3)c[nH+]1 ZINC000096052082 185074665 /nfs/dbraw/zinc/07/46/65/185074665.db2.gz PKAXKJCIPPEIKT-HZPDHXFCSA-N 2 2 291.395 1.401 40 0 CDABLP C[C@@H](C[NH2+]CCC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000047219060 357153802 /nfs/dbraw/zinc/15/38/02/357153802.db2.gz JBJFBZHMKBAIFI-ZDUSSCGKSA-N 2 2 286.416 1.276 40 0 CDABLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096240286 358724728 /nfs/dbraw/zinc/72/47/28/358724728.db2.gz OYYMWMNCLRHXIC-UHFFFAOYSA-N 2 2 274.368 1.712 40 0 CDABLP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000230177900 375532542 /nfs/dbraw/zinc/53/25/42/375532542.db2.gz DIIJGYMCKOAPRN-MGPQQGTHSA-N 2 2 267.373 1.163 40 0 CDABLP CCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000230177900 375532546 /nfs/dbraw/zinc/53/25/46/375532546.db2.gz DIIJGYMCKOAPRN-MGPQQGTHSA-N 2 2 267.373 1.163 40 0 CDABLP O=C(CCCn1cc[nH+]c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257200881 190011111 /nfs/dbraw/zinc/01/11/11/190011111.db2.gz AFFVUJUROCICSF-MRXNPFEDSA-N 2 2 298.390 1.836 40 0 CDABLP CCN1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1=O ZINC000333526549 276414227 /nfs/dbraw/zinc/41/42/27/276414227.db2.gz IDAKOMFEEHRMBA-LERXQTSPSA-N 2 2 259.353 1.342 40 0 CDABLP c1cn(C[C@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)c[nH+]1 ZINC000248078759 362148890 /nfs/dbraw/zinc/14/88/90/362148890.db2.gz HYCNUIXRCHWTES-DJIMGWMZSA-N 2 2 298.390 1.958 40 0 CDABLP c1cn(C[C@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)c[nH+]1 ZINC000248078759 362148894 /nfs/dbraw/zinc/14/88/94/362148894.db2.gz HYCNUIXRCHWTES-DJIMGWMZSA-N 2 2 298.390 1.958 40 0 CDABLP C[C@@H]1C[C@@H]([NH2+]Cc2nncn2-c2ccccc2)CC[N@@H+]1C ZINC000152621872 188032274 /nfs/dbraw/zinc/03/22/74/188032274.db2.gz BNZSPDSGMKDABE-KGLIPLIRSA-N 2 2 285.395 1.840 40 0 CDABLP C[C@@H]1C[C@@H]([NH2+]Cc2nncn2-c2ccccc2)CC[N@H+]1C ZINC000152621872 188032276 /nfs/dbraw/zinc/03/22/76/188032276.db2.gz BNZSPDSGMKDABE-KGLIPLIRSA-N 2 2 285.395 1.840 40 0 CDABLP C[N@H+](CC[NH3+])[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393786 356989925 /nfs/dbraw/zinc/98/99/25/356989925.db2.gz HSKAPJWLYWCIGA-HNNXBMFYSA-N 2 2 291.395 1.678 40 0 CDABLP C[N@@H+](CC[NH3+])[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393786 356989932 /nfs/dbraw/zinc/98/99/32/356989932.db2.gz HSKAPJWLYWCIGA-HNNXBMFYSA-N 2 2 291.395 1.678 40 0 CDABLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000328649758 375908096 /nfs/dbraw/zinc/90/80/96/375908096.db2.gz IVMCBCZUTZHDTD-CYBMUJFWSA-N 2 2 274.372 1.411 40 0 CDABLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000328649758 375908101 /nfs/dbraw/zinc/90/81/01/375908101.db2.gz IVMCBCZUTZHDTD-CYBMUJFWSA-N 2 2 274.372 1.411 40 0 CDABLP CC[N@@H+]1CCC[C@](O)(C[NH+]2CCc3sccc3C2)C1 ZINC000041124083 379336387 /nfs/dbraw/zinc/33/63/87/379336387.db2.gz LKGPJZSPNNIOQE-OAHLLOKOSA-N 2 2 280.437 1.953 40 0 CDABLP CC[N@H+]1CCC[C@](O)(C[NH+]2CCc3sccc3C2)C1 ZINC000041124083 379336391 /nfs/dbraw/zinc/33/63/91/379336391.db2.gz LKGPJZSPNNIOQE-OAHLLOKOSA-N 2 2 280.437 1.953 40 0 CDABLP CC[NH+]1CCC[C@](O)(C[N@@H+]2CCc3sccc3C2)C1 ZINC000041124083 379336395 /nfs/dbraw/zinc/33/63/95/379336395.db2.gz LKGPJZSPNNIOQE-OAHLLOKOSA-N 2 2 280.437 1.953 40 0 CDABLP CC[NH+]1CCC[C@](O)(C[N@H+]2CCc3sccc3C2)C1 ZINC000041124083 379336398 /nfs/dbraw/zinc/33/63/98/379336398.db2.gz LKGPJZSPNNIOQE-OAHLLOKOSA-N 2 2 280.437 1.953 40 0 CDABLP C[C@@H]1CC(C)(C)[NH2+]CCC[NH2+][C@@H](C)CC(C)(C)[NH2+]CCN1 ZINC000068605135 287220264 /nfs/dbraw/zinc/22/02/64/287220264.db2.gz AXJSSPFRZNDANC-LSDHHAIUSA-N 3 2 298.519 1.863 40 0 CDABLP C[C@@H]1CC(C)(C)[NH2+]CCC[NH2+][C@@H](C)CC(C)(C)NCC[NH2+]1 ZINC000068605135 287220266 /nfs/dbraw/zinc/22/02/66/287220266.db2.gz AXJSSPFRZNDANC-LSDHHAIUSA-N 3 2 298.519 1.863 40 0 CDABLP Cc1cc(N2CC[NH2+]C[C@H]2c2ccccc2)nc[nH+]1 ZINC000257275627 301338962 /nfs/dbraw/zinc/33/89/62/301338962.db2.gz NQEGNYJSRJWIPY-AWEZNQCLSA-N 2 2 254.337 1.936 40 0 CDABLP FC(F)n1nccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000256050878 190002833 /nfs/dbraw/zinc/00/28/33/190002833.db2.gz GVLLHPOTEHHTCL-UHFFFAOYSA-N 2 2 274.315 1.090 40 0 CDABLP Cc1cc(Nc2cc[nH+]c(NC3CC[NH2+]CC3)n2)n[nH]1 ZINC000257308714 190030993 /nfs/dbraw/zinc/03/09/93/190030993.db2.gz TXVBYZCUVAJJHZ-UHFFFAOYSA-N 2 2 273.344 1.416 40 0 CDABLP Cn1cc[nH+]c1CNc1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072365425 176380537 /nfs/dbraw/zinc/38/05/37/176380537.db2.gz YILAZSLNWVJNGD-GFCCVEGCSA-N 2 2 286.383 1.631 40 0 CDABLP Cn1cc[nH+]c1CNc1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365425 176380538 /nfs/dbraw/zinc/38/05/38/176380538.db2.gz YILAZSLNWVJNGD-GFCCVEGCSA-N 2 2 286.383 1.631 40 0 CDABLP C[N@@H+]1CCC[C@](O)(C[NH+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087384 423939197 /nfs/dbraw/zinc/93/91/97/423939197.db2.gz LNEZLZQNIHGLNV-GOSISDBHSA-N 2 2 299.418 1.983 40 0 CDABLP C[N@H+]1CCC[C@](O)(C[NH+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087384 423939208 /nfs/dbraw/zinc/93/92/08/423939208.db2.gz LNEZLZQNIHGLNV-GOSISDBHSA-N 2 2 299.418 1.983 40 0 CDABLP C[NH+]1CCC[C@](O)(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087384 423939219 /nfs/dbraw/zinc/93/92/19/423939219.db2.gz LNEZLZQNIHGLNV-GOSISDBHSA-N 2 2 299.418 1.983 40 0 CDABLP C[NH+]1CCC[C@](O)(C[N@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087384 423939229 /nfs/dbraw/zinc/93/92/29/423939229.db2.gz LNEZLZQNIHGLNV-GOSISDBHSA-N 2 2 299.418 1.983 40 0 CDABLP Cc1cccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cnn(C)c2)[nH+]1 ZINC000096063975 185084300 /nfs/dbraw/zinc/08/43/00/185084300.db2.gz SAYGZLGRSMOSSE-HOTGVXAUSA-N 2 2 297.406 1.977 40 0 CDABLP Cc1cccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cnn(C)c2)[nH+]1 ZINC000096063975 185084301 /nfs/dbraw/zinc/08/43/01/185084301.db2.gz SAYGZLGRSMOSSE-HOTGVXAUSA-N 2 2 297.406 1.977 40 0 CDABLP COc1cccc(C[N@@H+]2C[C@@H]3C[NH+](C)CCO[C@@H]3C2)c1 ZINC000096107935 185099969 /nfs/dbraw/zinc/09/99/69/185099969.db2.gz JCXRBHOFZVLSQL-GOEBONIOSA-N 2 2 276.380 1.458 40 0 CDABLP COc1cccc(C[N@H+]2C[C@@H]3C[NH+](C)CCO[C@@H]3C2)c1 ZINC000096107935 185099970 /nfs/dbraw/zinc/09/99/70/185099970.db2.gz JCXRBHOFZVLSQL-GOEBONIOSA-N 2 2 276.380 1.458 40 0 CDABLP COc1cccc(C[NH+]2C[C@@H]3C[N@H+](C)CCO[C@@H]3C2)c1 ZINC000096107935 185099971 /nfs/dbraw/zinc/09/99/71/185099971.db2.gz JCXRBHOFZVLSQL-GOEBONIOSA-N 2 2 276.380 1.458 40 0 CDABLP COc1cccc(C[NH+]2C[C@@H]3C[N@@H+](C)CCO[C@@H]3C2)c1 ZINC000096107935 185099973 /nfs/dbraw/zinc/09/99/73/185099973.db2.gz JCXRBHOFZVLSQL-GOEBONIOSA-N 2 2 276.380 1.458 40 0 CDABLP C[C@@H](C[NH2+]CC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000047219044 357153997 /nfs/dbraw/zinc/15/39/97/357153997.db2.gz YVSXCKGFZTWVQS-LBPRGKRZSA-N 2 2 256.390 1.650 40 0 CDABLP Cn1cc[nH+]c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096161540 358711206 /nfs/dbraw/zinc/71/12/06/358711206.db2.gz FCFBQYUZNPOGSB-CALCHBBNSA-N 2 2 296.418 1.984 40 0 CDABLP Cn1cc[nH+]c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096161540 358711208 /nfs/dbraw/zinc/71/12/08/358711208.db2.gz FCFBQYUZNPOGSB-CALCHBBNSA-N 2 2 296.418 1.984 40 0 CDABLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](C1CCOCC1)C2 ZINC000096197244 358716526 /nfs/dbraw/zinc/71/65/26/358716526.db2.gz WRCDLNZHNGYGDZ-UHFFFAOYSA-N 2 2 290.411 1.474 40 0 CDABLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](C1CCOCC1)C2 ZINC000096197244 358716529 /nfs/dbraw/zinc/71/65/29/358716529.db2.gz WRCDLNZHNGYGDZ-UHFFFAOYSA-N 2 2 290.411 1.474 40 0 CDABLP S=C(NCCC[NH+]1CCCC1)Nc1cc[nH+]cc1 ZINC000225435346 359588884 /nfs/dbraw/zinc/58/88/84/359588884.db2.gz DWBOTHJAWLFSNA-UHFFFAOYSA-N 2 2 264.398 1.854 40 0 CDABLP COc1ncc(C[N@@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257323809 190034089 /nfs/dbraw/zinc/03/40/89/190034089.db2.gz WLXGBBLHWJBQNB-GFCCVEGCSA-N 2 2 273.340 1.506 40 0 CDABLP COc1ncc(C[N@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257323809 190034090 /nfs/dbraw/zinc/03/40/90/190034090.db2.gz WLXGBBLHWJBQNB-GFCCVEGCSA-N 2 2 273.340 1.506 40 0 CDABLP CCn1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000096523676 390537658 /nfs/dbraw/zinc/53/76/58/390537658.db2.gz HWCRWVSEGHMXCC-CYBMUJFWSA-N 2 2 250.390 1.643 40 0 CDABLP CCn1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000096523676 390537662 /nfs/dbraw/zinc/53/76/62/390537662.db2.gz HWCRWVSEGHMXCC-CYBMUJFWSA-N 2 2 250.390 1.643 40 0 CDABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc(Br)cc1 ZINC000022074971 171352188 /nfs/dbraw/zinc/35/21/88/171352188.db2.gz YDAVAFKRNPDFRB-SNVBAGLBSA-N 2 2 287.201 1.509 40 0 CDABLP COc1cc(OC)c2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000077255281 358015777 /nfs/dbraw/zinc/01/57/77/358015777.db2.gz DGJSOCREVVTLGP-UHFFFAOYSA-N 2 2 273.336 1.662 40 0 CDABLP Cc1cc(N2CC[NH2+]CC2)nc(-c2ccccc2)[nH+]1 ZINC000008731083 358388355 /nfs/dbraw/zinc/38/83/55/358388355.db2.gz ZVPVJYGANFVGLV-UHFFFAOYSA-N 2 2 254.337 1.862 40 0 CDABLP C[NH+](C)Cc1nnn2c1C[N@H+](Cc1cccnc1)CCC2 ZINC000096259478 358728635 /nfs/dbraw/zinc/72/86/35/358728635.db2.gz FGTDHZWGORAKNH-UHFFFAOYSA-N 2 2 286.383 1.141 40 0 CDABLP C[NH+](C)Cc1nnn2c1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096259478 358728640 /nfs/dbraw/zinc/72/86/40/358728640.db2.gz FGTDHZWGORAKNH-UHFFFAOYSA-N 2 2 286.383 1.141 40 0 CDABLP CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257244709 190019104 /nfs/dbraw/zinc/01/91/04/190019104.db2.gz IMLLHFSUWPMWCQ-OAGGEKHMSA-N 2 2 273.380 1.158 40 0 CDABLP CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000257244709 190019105 /nfs/dbraw/zinc/01/91/05/190019105.db2.gz IMLLHFSUWPMWCQ-OAGGEKHMSA-N 2 2 273.380 1.158 40 0 CDABLP C[NH+](C)CCC[NH2+]CC(=O)N[C@]1(C)[C@H]2CC[C@H](C2)C1(C)C ZINC000005000542 170052639 /nfs/dbraw/zinc/05/26/39/170052639.db2.gz HCBNJBQMOMQHLW-JKIFEVAISA-N 2 2 295.471 1.859 40 0 CDABLP C[C@@H]1CC(C)(C)[NH2+]CCN[C@@H](C)CC(C)(C)[NH2+]CCC[NH2+]1 ZINC000068605138 357651937 /nfs/dbraw/zinc/65/19/37/357651937.db2.gz AXJSSPFRZNDANC-CABCVRRESA-N 3 2 298.519 1.863 40 0 CDABLP C[C@@H]1CC(C)(C)NCC[NH2+][C@@H](C)CC(C)(C)[NH2+]CCC[NH2+]1 ZINC000068605138 357651940 /nfs/dbraw/zinc/65/19/40/357651940.db2.gz AXJSSPFRZNDANC-CABCVRRESA-N 3 2 298.519 1.863 40 0 CDABLP CN(C)c1nc(N2CC[NH+](CCCCCF)CC2)cc[nH+]1 ZINC000225466625 374466888 /nfs/dbraw/zinc/46/68/88/374466888.db2.gz KQNNMMHXXLJCSF-UHFFFAOYSA-N 2 2 295.406 1.804 40 0 CDABLP COc1cc[nH+]c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1OC ZINC000225598644 375169973 /nfs/dbraw/zinc/16/99/73/375169973.db2.gz SVFVMBQTUSDEGE-TXEJJXNPSA-N 2 2 279.384 1.623 40 0 CDABLP COc1cc[nH+]c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1OC ZINC000225598644 375169982 /nfs/dbraw/zinc/16/99/82/375169982.db2.gz SVFVMBQTUSDEGE-TXEJJXNPSA-N 2 2 279.384 1.623 40 0 CDABLP Cc1[nH+]cc(-c2nccnc2C2CC[NH2+]CC2)n1C ZINC000257280389 190025526 /nfs/dbraw/zinc/02/55/26/190025526.db2.gz OKQKIQUNSJLETO-UHFFFAOYSA-N 2 2 257.341 1.653 40 0 CDABLP COCC[NH+]1CCC([NH2+]Cc2nccn2C(C)C)CC1 ZINC000657331098 414180383 /nfs/dbraw/zinc/18/03/83/414180383.db2.gz NUHTZWFHBAYRSE-UHFFFAOYSA-N 2 2 280.416 1.664 40 0 CDABLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000072352905 176374282 /nfs/dbraw/zinc/37/42/82/176374282.db2.gz KCUDCINWOHUYFO-CQSZACIVSA-N 2 2 273.384 1.837 40 0 CDABLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000072352905 176374284 /nfs/dbraw/zinc/37/42/84/176374284.db2.gz KCUDCINWOHUYFO-CQSZACIVSA-N 2 2 273.384 1.837 40 0 CDABLP CC(C)N(C[C@H]1CC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408521 356992565 /nfs/dbraw/zinc/99/25/65/356992565.db2.gz IRURXPHXOBTBIY-ZDUSSCGKSA-N 2 2 285.432 1.913 40 0 CDABLP CC(C)N(C[C@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408521 356992570 /nfs/dbraw/zinc/99/25/70/356992570.db2.gz IRURXPHXOBTBIY-ZDUSSCGKSA-N 2 2 285.432 1.913 40 0 CDABLP CCN1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1=O ZINC000333526551 371734538 /nfs/dbraw/zinc/73/45/38/371734538.db2.gz IDAKOMFEEHRMBA-SWHYSGLUSA-N 2 2 259.353 1.342 40 0 CDABLP c1cn2c([nH+]1)C[C@H]1C[N@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306124246 374967141 /nfs/dbraw/zinc/96/71/41/374967141.db2.gz BKLCJVNESLNMKC-UONOGXRCSA-N 2 2 254.337 1.582 40 0 CDABLP c1cn2c([nH+]1)C[C@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306124246 374967147 /nfs/dbraw/zinc/96/71/47/374967147.db2.gz BKLCJVNESLNMKC-UONOGXRCSA-N 2 2 254.337 1.582 40 0 CDABLP Cc1c[nH]c([C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000257297742 190029242 /nfs/dbraw/zinc/02/92/42/190029242.db2.gz RIQNSEWMJKCKDK-ZDUSSCGKSA-N 2 2 276.384 1.520 40 0 CDABLP Cc1c[nH]c([C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000257297742 190029243 /nfs/dbraw/zinc/02/92/43/190029243.db2.gz RIQNSEWMJKCKDK-ZDUSSCGKSA-N 2 2 276.384 1.520 40 0 CDABLP CCSc1ncc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000062718356 391574722 /nfs/dbraw/zinc/57/47/22/391574722.db2.gz MHIUVVKBUDPEJC-UHFFFAOYSA-N 2 2 254.403 1.630 40 0 CDABLP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCc2ccccc21 ZINC000026439547 287023505 /nfs/dbraw/zinc/02/35/05/287023505.db2.gz RZFQQANCJYPVAM-CYBMUJFWSA-N 2 2 275.396 1.506 40 0 CDABLP C[C@@]1(CO)CCC[C@H]1[NH2+]CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000104245193 278124568 /nfs/dbraw/zinc/12/45/68/278124568.db2.gz LBNBPYQPTNKLFN-FZKCQIBNSA-N 2 2 284.444 1.268 40 0 CDABLP c1coc(C[NH+]2CCO[C@@H]3C[N@H+](CC4CC4)C[C@@H]3C2)c1 ZINC000096108160 185100301 /nfs/dbraw/zinc/10/03/01/185100301.db2.gz IWTNQHGNKRCSED-GOEBONIOSA-N 2 2 276.380 1.822 40 0 CDABLP c1coc(C[NH+]2CCO[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)c1 ZINC000096108160 185100302 /nfs/dbraw/zinc/10/03/02/185100302.db2.gz IWTNQHGNKRCSED-GOEBONIOSA-N 2 2 276.380 1.822 40 0 CDABLP c1coc(C[N@@H+]2CCO[C@@H]3C[NH+](CC4CC4)C[C@@H]3C2)c1 ZINC000096108160 185100304 /nfs/dbraw/zinc/10/03/04/185100304.db2.gz IWTNQHGNKRCSED-GOEBONIOSA-N 2 2 276.380 1.822 40 0 CDABLP c1coc(C[N@H+]2CCO[C@@H]3C[NH+](CC4CC4)C[C@@H]3C2)c1 ZINC000096108160 185100306 /nfs/dbraw/zinc/10/03/06/185100306.db2.gz IWTNQHGNKRCSED-GOEBONIOSA-N 2 2 276.380 1.822 40 0 CDABLP c1cncc(C[NH+]2C[C@@H]3C[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096110639 185100697 /nfs/dbraw/zinc/10/06/97/185100697.db2.gz BAWMYWGYJPVUOM-HOTGVXAUSA-N 2 2 257.381 1.855 40 0 CDABLP C[NH+](C)[C@@H](C[NH3+])CC1=C(C[C@H](C[NH3+])[NH+](C)C)CCC1 ZINC000019365233 356482609 /nfs/dbraw/zinc/48/26/09/356482609.db2.gz KLCGZEXDANGXJY-HUUCEWRRSA-N 4 2 268.449 1.025 40 0 CDABLP C(c1noc2c1C[N@H+](C[C@@H]1CCOC1)CC2)[NH+]1CCCC1 ZINC000096259729 358729700 /nfs/dbraw/zinc/72/97/00/358729700.db2.gz VEHWFCBHTZNXOD-ZDUSSCGKSA-N 2 2 291.395 1.665 40 0 CDABLP C(c1noc2c1C[N@@H+](C[C@@H]1CCOC1)CC2)[NH+]1CCCC1 ZINC000096259729 358729703 /nfs/dbraw/zinc/72/97/03/358729703.db2.gz VEHWFCBHTZNXOD-ZDUSSCGKSA-N 2 2 291.395 1.665 40 0 CDABLP Nc1cc(CC[C@H]2C[N@H+](Cc3ccccn3)CCO2)cc[nH+]1 ZINC000257243076 190018577 /nfs/dbraw/zinc/01/85/77/190018577.db2.gz IFJSECAKJCJEHH-INIZCTEOSA-N 2 2 298.390 1.892 40 0 CDABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3ccccn3)CCO2)cc[nH+]1 ZINC000257243076 190018578 /nfs/dbraw/zinc/01/85/78/190018578.db2.gz IFJSECAKJCJEHH-INIZCTEOSA-N 2 2 298.390 1.892 40 0 CDABLP COc1ccccc1[C@H]1C[NH2+]CCN1Cc1c[nH+]c[nH]1 ZINC000257250779 190020397 /nfs/dbraw/zinc/02/03/97/190020397.db2.gz JNYXUSMPOBVMTE-CQSZACIVSA-N 2 2 272.352 1.565 40 0 CDABLP COc1ccccc1[C@H]1C[NH2+]CCN1Cc1c[nH]c[nH+]1 ZINC000257250779 190020398 /nfs/dbraw/zinc/02/03/98/190020398.db2.gz JNYXUSMPOBVMTE-CQSZACIVSA-N 2 2 272.352 1.565 40 0 CDABLP Cc1[nH+]cc(-c2cncc(C3CC[NH2+]CC3)n2)n1C ZINC000257266692 190023575 /nfs/dbraw/zinc/02/35/75/190023575.db2.gz MEBRAJQDZDYSRT-UHFFFAOYSA-N 2 2 257.341 1.653 40 0 CDABLP CC[NH+]1CCC([N@@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257331858 190035611 /nfs/dbraw/zinc/03/56/11/190035611.db2.gz XUOQPVZQBYEZEG-ZDUSSCGKSA-N 3 2 262.401 1.992 40 0 CDABLP CC[NH+]1CCC([N@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257331858 190035612 /nfs/dbraw/zinc/03/56/12/190035612.db2.gz XUOQPVZQBYEZEG-ZDUSSCGKSA-N 3 2 262.401 1.992 40 0 CDABLP CC(C)[N@H+](CC[NH3+])Cc1cccc2c1OCCO2 ZINC000079421409 390422685 /nfs/dbraw/zinc/42/26/85/390422685.db2.gz WZXDDRDJWNQMLH-UHFFFAOYSA-N 2 2 250.342 1.627 40 0 CDABLP CC(C)[N@@H+](CC[NH3+])Cc1cccc2c1OCCO2 ZINC000079421409 390422687 /nfs/dbraw/zinc/42/26/87/390422687.db2.gz WZXDDRDJWNQMLH-UHFFFAOYSA-N 2 2 250.342 1.627 40 0 CDABLP CC[NH+](CC)CCC[NH2+]CC(=O)Nc1cc(C)on1 ZINC000026439616 391105967 /nfs/dbraw/zinc/10/59/67/391105967.db2.gz REYQXKJNEBTFNM-UHFFFAOYSA-N 2 2 268.361 1.243 40 0 CDABLP Cc1ccc(C[N@@H+](C)C[C@]2(O)CCC[NH+](C)C2)o1 ZINC000046087365 175392021 /nfs/dbraw/zinc/39/20/21/175392021.db2.gz CXHZLDMQJPLJRK-AWEZNQCLSA-N 2 2 252.358 1.477 40 0 CDABLP Cc1ccc(C[N@H+](C)C[C@]2(O)CCC[NH+](C)C2)o1 ZINC000046087365 175392023 /nfs/dbraw/zinc/39/20/23/175392023.db2.gz CXHZLDMQJPLJRK-AWEZNQCLSA-N 2 2 252.358 1.477 40 0 CDABLP Cc1ccc(C[NH+](C)C[C@]2(O)CCC[N@H+](C)C2)o1 ZINC000046087365 175392024 /nfs/dbraw/zinc/39/20/24/175392024.db2.gz CXHZLDMQJPLJRK-AWEZNQCLSA-N 2 2 252.358 1.477 40 0 CDABLP Cc1ccc(C[NH+](C)C[C@]2(O)CCC[N@@H+](C)C2)o1 ZINC000046087365 175392026 /nfs/dbraw/zinc/39/20/26/175392026.db2.gz CXHZLDMQJPLJRK-AWEZNQCLSA-N 2 2 252.358 1.477 40 0 CDABLP COc1ccc(OC)c2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000077255283 277920531 /nfs/dbraw/zinc/92/05/31/277920531.db2.gz NQBMNIADRJOHSP-UHFFFAOYSA-N 2 2 273.336 1.662 40 0 CDABLP C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000247354636 524521408 /nfs/dbraw/zinc/52/14/08/524521408.db2.gz HDCYVZHEHHPOQK-VNQPRFMTSA-N 2 2 298.390 1.993 40 0 CDABLP C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000247354636 524521415 /nfs/dbraw/zinc/52/14/15/524521415.db2.gz HDCYVZHEHHPOQK-VNQPRFMTSA-N 2 2 298.390 1.993 40 0 CDABLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+](CC1CC1)C2 ZINC000096059607 185081448 /nfs/dbraw/zinc/08/14/48/185081448.db2.gz BBBJVQGRYCCFKA-UHFFFAOYSA-N 2 2 299.378 1.104 40 0 CDABLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+](CC1CC1)C2 ZINC000096059607 185081449 /nfs/dbraw/zinc/08/14/49/185081449.db2.gz BBBJVQGRYCCFKA-UHFFFAOYSA-N 2 2 299.378 1.104 40 0 CDABLP CC[NH2+][C@@H]1CCOC2(CCN(c3cc(C)[nH+]cn3)CC2)C1 ZINC000257259183 362580603 /nfs/dbraw/zinc/58/06/03/362580603.db2.gz KXFKOHDWUZLLLV-CQSZACIVSA-N 2 2 290.411 1.913 40 0 CDABLP CCN(C[C@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408476 356992210 /nfs/dbraw/zinc/99/22/10/356992210.db2.gz JIPNMEKCUCIOFP-ZDUSSCGKSA-N 2 2 285.432 1.914 40 0 CDABLP CCN(C[C@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408476 356992215 /nfs/dbraw/zinc/99/22/15/356992215.db2.gz JIPNMEKCUCIOFP-ZDUSSCGKSA-N 2 2 285.432 1.914 40 0 CDABLP CCOc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1 ZINC000022075404 171352244 /nfs/dbraw/zinc/35/22/44/171352244.db2.gz KCYGEFFBHRUYDG-LBPRGKRZSA-N 2 2 252.358 1.145 40 0 CDABLP [NH3+]CCC[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000044563871 175207249 /nfs/dbraw/zinc/20/72/49/175207249.db2.gz BNRXWVARIROIGZ-UHFFFAOYSA-N 2 2 277.368 1.290 40 0 CDABLP CCOc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1 ZINC000022075402 262344471 /nfs/dbraw/zinc/34/44/71/262344471.db2.gz KCYGEFFBHRUYDG-GFCCVEGCSA-N 2 2 252.358 1.145 40 0 CDABLP FC1(F)CC[NH2+]C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096239809 265346083 /nfs/dbraw/zinc/34/60/83/265346083.db2.gz APBWPTYMNXLBPL-GFCCVEGCSA-N 2 2 253.296 1.907 40 0 CDABLP C[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)C[NH+]1CCOCC1 ZINC000155937104 351427738 /nfs/dbraw/zinc/42/77/38/351427738.db2.gz ZRKWEBQZZDLLQJ-AWEZNQCLSA-N 2 2 298.427 1.230 40 0 CDABLP O=C(CCn1cc[nH+]c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333128065 205053848 /nfs/dbraw/zinc/05/38/48/205053848.db2.gz IFNDVZKPTXWOIY-UHFFFAOYSA-N 2 2 273.340 1.403 40 0 CDABLP C[NH+](C)CCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256053384 190005173 /nfs/dbraw/zinc/00/51/73/190005173.db2.gz RFVHAKPOBVQTRO-UHFFFAOYSA-N 2 2 264.295 1.487 40 0 CDABLP Cc1n[nH]cc1C[N@H+]1CC[C@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257239896 190017555 /nfs/dbraw/zinc/01/75/55/190017555.db2.gz HRHCLDOUXBYMMZ-LBPRGKRZSA-N 2 2 288.399 1.492 40 0 CDABLP Cc1n[nH]cc1C[N@@H+]1CC[C@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257239896 190017556 /nfs/dbraw/zinc/01/75/56/190017556.db2.gz HRHCLDOUXBYMMZ-LBPRGKRZSA-N 2 2 288.399 1.492 40 0 CDABLP Cc1n[nH]cc1C[N@H+]1CC[C@H](c2nc(C[NH+](C)C)c[nH]2)C1 ZINC000257239896 190017557 /nfs/dbraw/zinc/01/75/57/190017557.db2.gz HRHCLDOUXBYMMZ-LBPRGKRZSA-N 2 2 288.399 1.492 40 0 CDABLP Cc1n[nH]cc1C[N@@H+]1CC[C@H](c2nc(C[NH+](C)C)c[nH]2)C1 ZINC000257239896 190017558 /nfs/dbraw/zinc/01/75/58/190017558.db2.gz HRHCLDOUXBYMMZ-LBPRGKRZSA-N 2 2 288.399 1.492 40 0 CDABLP Cc1c[nH]c([C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000257297741 190029027 /nfs/dbraw/zinc/02/90/27/190029027.db2.gz RIQNSEWMJKCKDK-CYBMUJFWSA-N 2 2 276.384 1.520 40 0 CDABLP Cc1c[nH]c([C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000257297741 190029028 /nfs/dbraw/zinc/02/90/28/190029028.db2.gz RIQNSEWMJKCKDK-CYBMUJFWSA-N 2 2 276.384 1.520 40 0 CDABLP CC(C)[N@H+](CC[NH3+])Cc1ccc2c(c1)OCCO2 ZINC000032105431 390407665 /nfs/dbraw/zinc/40/76/65/390407665.db2.gz CXKAHXGYTMOFCX-UHFFFAOYSA-N 2 2 250.342 1.627 40 0 CDABLP CC(C)[N@@H+](CC[NH3+])Cc1ccc2c(c1)OCCO2 ZINC000032105431 390407667 /nfs/dbraw/zinc/40/76/67/390407667.db2.gz CXKAHXGYTMOFCX-UHFFFAOYSA-N 2 2 250.342 1.627 40 0 CDABLP O=C(CCn1cc[nH+]c1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257308282 362585831 /nfs/dbraw/zinc/58/58/31/362585831.db2.gz TWDSQFBERGOADT-AWEZNQCLSA-N 2 2 299.378 1.453 40 0 CDABLP Cc1c[nH+]c(NCCC[NH+]2CCOCC2)c(N)c1 ZINC000036226355 356866791 /nfs/dbraw/zinc/86/67/91/356866791.db2.gz SLOSSIUYERDHHA-UHFFFAOYSA-N 2 2 250.346 1.106 40 0 CDABLP CC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC000096229352 358724148 /nfs/dbraw/zinc/72/41/48/358724148.db2.gz MFGDVESIWVXWKU-MRXNPFEDSA-N 2 2 292.427 1.354 40 0 CDABLP CC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC000096229352 358724149 /nfs/dbraw/zinc/72/41/49/358724149.db2.gz MFGDVESIWVXWKU-MRXNPFEDSA-N 2 2 292.427 1.354 40 0 CDABLP CC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC000096229352 358724151 /nfs/dbraw/zinc/72/41/51/358724151.db2.gz MFGDVESIWVXWKU-MRXNPFEDSA-N 2 2 292.427 1.354 40 0 CDABLP 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Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000257328606 190034714 /nfs/dbraw/zinc/03/47/14/190034714.db2.gz XGKFOGOBGFJWJK-ZDUSSCGKSA-N 2 2 259.357 1.831 40 0 CDABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000257328606 190034715 /nfs/dbraw/zinc/03/47/15/190034715.db2.gz XGKFOGOBGFJWJK-ZDUSSCGKSA-N 2 2 259.357 1.831 40 0 CDABLP COc1ccccc1[C@@H]([NH3+])c1noc(C[NH+]2CCCC2)n1 ZINC000070453766 390942620 /nfs/dbraw/zinc/94/26/20/390942620.db2.gz QPLZWKXXOJTSGS-CQSZACIVSA-N 2 2 288.351 1.722 40 0 CDABLP COc1ccccc1[C@H]([NH3+])c1noc(C[NH+]2CCCC2)n1 ZINC000070453765 390942661 /nfs/dbraw/zinc/94/26/61/390942661.db2.gz QPLZWKXXOJTSGS-AWEZNQCLSA-N 2 2 288.351 1.722 40 0 CDABLP CCOc1ccc2ccccc2c1C[NH2+]CC[NH2+]CCO ZINC000022076125 171352203 /nfs/dbraw/zinc/35/22/03/171352203.db2.gz DTCOAJOCQKECQF-UHFFFAOYSA-N 2 2 288.391 1.910 40 0 CDABLP c1cncc(C[N@H+]2C[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096063645 185084340 /nfs/dbraw/zinc/08/43/40/185084340.db2.gz REZKSSXBEYUUCD-IYBDPMFKSA-N 2 2 287.407 1.624 40 0 CDABLP c1cncc(C[N@@H+]2C[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096063645 185084341 /nfs/dbraw/zinc/08/43/41/185084341.db2.gz REZKSSXBEYUUCD-IYBDPMFKSA-N 2 2 287.407 1.624 40 0 CDABLP c1cncc(C[NH+]2C[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096063645 185084342 /nfs/dbraw/zinc/08/43/42/185084342.db2.gz REZKSSXBEYUUCD-IYBDPMFKSA-N 2 2 287.407 1.624 40 0 CDABLP c1cncc(C[NH+]2C[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096063645 185084343 /nfs/dbraw/zinc/08/43/43/185084343.db2.gz REZKSSXBEYUUCD-IYBDPMFKSA-N 2 2 287.407 1.624 40 0 CDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccco2)C1 ZINC000096059184 282141526 /nfs/dbraw/zinc/14/15/26/282141526.db2.gz CYRZPFXQZHNPMZ-LBPRGKRZSA-N 2 2 288.351 1.310 40 0 CDABLP C[N@H+]1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000248146411 362154450 /nfs/dbraw/zinc/15/44/50/362154450.db2.gz RWSNTIHRLMNBIJ-CYBMUJFWSA-N 2 2 290.392 1.290 40 0 CDABLP C[N@@H+]1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000248146411 362154455 /nfs/dbraw/zinc/15/44/55/362154455.db2.gz RWSNTIHRLMNBIJ-CYBMUJFWSA-N 2 2 290.392 1.290 40 0 CDABLP CN(C(=O)OCc1ccccc1)C1CC[NH+](CC[NH3+])CC1 ZINC000079411489 356993486 /nfs/dbraw/zinc/99/34/86/356993486.db2.gz ATJDFOWATLCKHZ-UHFFFAOYSA-N 2 2 291.395 1.678 40 0 CDABLP CNc1nc([C@@H]2CCCC[NH+]2C)nc2c1CC[N@H+](C)C2 ZINC000072376536 357831374 /nfs/dbraw/zinc/83/13/74/357831374.db2.gz SRCFMXWSCJMFJT-ZDUSSCGKSA-N 2 2 275.400 1.663 40 0 CDABLP CNc1nc([C@@H]2CCCC[NH+]2C)nc2c1CC[N@@H+](C)C2 ZINC000072376536 357831377 /nfs/dbraw/zinc/83/13/77/357831377.db2.gz SRCFMXWSCJMFJT-ZDUSSCGKSA-N 2 2 275.400 1.663 40 0 CDABLP CNc1nc([C@@H]2CCCC[N@@H+]2C)nc2c1CC[NH+](C)C2 ZINC000072376536 357831381 /nfs/dbraw/zinc/83/13/81/357831381.db2.gz SRCFMXWSCJMFJT-ZDUSSCGKSA-N 2 2 275.400 1.663 40 0 CDABLP CNc1nc([C@@H]2CCCC[N@H+]2C)nc2c1CC[NH+](C)C2 ZINC000072376536 357831383 /nfs/dbraw/zinc/83/13/83/357831383.db2.gz SRCFMXWSCJMFJT-ZDUSSCGKSA-N 2 2 275.400 1.663 40 0 CDABLP Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)cn1 ZINC000257199899 190010590 /nfs/dbraw/zinc/01/05/90/190010590.db2.gz ABEOXJVZJMZGFB-HOTGVXAUSA-N 2 2 286.379 1.785 40 0 CDABLP Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)cn1 ZINC000257199899 190010591 /nfs/dbraw/zinc/01/05/91/190010591.db2.gz ABEOXJVZJMZGFB-HOTGVXAUSA-N 2 2 286.379 1.785 40 0 CDABLP Cc1[nH+]cc(-c2cncc([C@H]3CCC[NH2+]C3)n2)n1C ZINC000257272602 190024872 /nfs/dbraw/zinc/02/48/72/190024872.db2.gz NDAPRUKQENAEQZ-NSHDSACASA-N 2 2 257.341 1.653 40 0 CDABLP C[C@@H]1CC(C)(C)[NH2+]CCC[NH2+][C@H](C)CC(C)(C)[NH2+]CCN1 ZINC000068605129 287220236 /nfs/dbraw/zinc/22/02/36/287220236.db2.gz AXJSSPFRZNDANC-HUUCEWRRSA-N 3 2 298.519 1.863 40 0 CDABLP C[C@@H]1CC(C)(C)NCC[NH2+][C@H](C)CC(C)(C)[NH2+]CCC[NH2+]1 ZINC000068605129 287220238 /nfs/dbraw/zinc/22/02/38/287220238.db2.gz AXJSSPFRZNDANC-HUUCEWRRSA-N 3 2 298.519 1.863 40 0 CDABLP C[NH+](C)C[C@]12COC[C@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000096108258 185099777 /nfs/dbraw/zinc/09/97/77/185099777.db2.gz MLOJBLMRMPZUDB-ZBFHGGJFSA-N 2 2 278.371 1.836 40 0 CDABLP C[NH+](C)C[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1F)C2 ZINC000096108258 185099779 /nfs/dbraw/zinc/09/97/79/185099779.db2.gz MLOJBLMRMPZUDB-ZBFHGGJFSA-N 2 2 278.371 1.836 40 0 CDABLP C[NH+](C)CC[C@@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000248102726 362149901 /nfs/dbraw/zinc/14/99/01/362149901.db2.gz IAPFVFBXEYDYTM-OAHLLOKOSA-N 3 2 292.427 1.618 40 0 CDABLP C[NH+](C)CC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000248102726 362149906 /nfs/dbraw/zinc/14/99/06/362149906.db2.gz IAPFVFBXEYDYTM-OAHLLOKOSA-N 3 2 292.427 1.618 40 0 CDABLP c1c[nH+]c(CNc2ccc(CC[NH+]3CCOCC3)cc2)[nH]1 ZINC000080194946 358732006 /nfs/dbraw/zinc/73/20/06/358732006.db2.gz YMWQYCXXZWYGSH-UHFFFAOYSA-N 2 2 286.379 1.897 40 0 CDABLP COC(C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)OC ZINC000161621859 374381471 /nfs/dbraw/zinc/38/14/71/374381471.db2.gz OROFIVOGRODUQG-UHFFFAOYSA-N 2 2 265.357 1.131 40 0 CDABLP O=C(CCCn1cc[nH+]c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257200880 190010776 /nfs/dbraw/zinc/01/07/76/190010776.db2.gz AFFVUJUROCICSF-INIZCTEOSA-N 2 2 298.390 1.836 40 0 CDABLP Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)[nH+]1 ZINC000257288281 190026720 /nfs/dbraw/zinc/02/67/20/190026720.db2.gz PTPGDWYNDWIHAE-CYBMUJFWSA-N 2 2 287.367 1.331 40 0 CDABLP Cn1cc[nH+]c1CNc1cc([C@@H]2CCC[NH2+]2)ccn1 ZINC000072386927 176392646 /nfs/dbraw/zinc/39/26/46/176392646.db2.gz CREXAACODJHIMS-LBPRGKRZSA-N 2 2 257.341 1.852 40 0 CDABLP CN(C[C@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408395 358070110 /nfs/dbraw/zinc/07/01/10/358070110.db2.gz DQEKVKHDJBOEIT-GFCCVEGCSA-N 2 2 271.405 1.524 40 0 CDABLP CN(C[C@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408395 358070113 /nfs/dbraw/zinc/07/01/13/358070113.db2.gz DQEKVKHDJBOEIT-GFCCVEGCSA-N 2 2 271.405 1.524 40 0 CDABLP C[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccsc1)C2 ZINC000096201914 358719302 /nfs/dbraw/zinc/71/93/02/358719302.db2.gz DSYKGZRMLUKKPP-AWEZNQCLSA-N 2 2 266.410 1.902 40 0 CDABLP C[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccsc1)C2 ZINC000096201914 358719304 /nfs/dbraw/zinc/71/93/04/358719304.db2.gz DSYKGZRMLUKKPP-AWEZNQCLSA-N 2 2 266.410 1.902 40 0 CDABLP C[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096201914 358719305 /nfs/dbraw/zinc/71/93/05/358719305.db2.gz DSYKGZRMLUKKPP-AWEZNQCLSA-N 2 2 266.410 1.902 40 0 CDABLP C[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096201914 358719309 /nfs/dbraw/zinc/71/93/09/358719309.db2.gz DSYKGZRMLUKKPP-AWEZNQCLSA-N 2 2 266.410 1.902 40 0 CDABLP COc1cc[nH+]c(CN2C[C@H](C)[NH+](C)[C@@H](C)C2)c1OC ZINC000225598673 375170877 /nfs/dbraw/zinc/17/08/77/375170877.db2.gz SVFVMBQTUSDEGE-RYUDHWBXSA-N 2 2 279.384 1.623 40 0 CDABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3cnccn3)C2)[nH+]1 ZINC000257306774 190031531 /nfs/dbraw/zinc/03/15/31/190031531.db2.gz SVVAPQDAFXTBEQ-LBPRGKRZSA-N 2 2 257.341 1.508 40 0 CDABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cnccn3)C2)[nH+]1 ZINC000257306774 190031532 /nfs/dbraw/zinc/03/15/32/190031532.db2.gz SVVAPQDAFXTBEQ-LBPRGKRZSA-N 2 2 257.341 1.508 40 0 CDABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072355655 176374929 /nfs/dbraw/zinc/37/49/29/176374929.db2.gz JQXDLTRFOTWMEQ-CYBMUJFWSA-N 2 2 285.351 1.198 40 0 CDABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072355655 176374931 /nfs/dbraw/zinc/37/49/31/176374931.db2.gz JQXDLTRFOTWMEQ-CYBMUJFWSA-N 2 2 285.351 1.198 40 0 CDABLP c1nn(C2CC[NH2+]CC2)c2nc[nH+]c(N3CCCCC3)c12 ZINC000228927537 570372947 /nfs/dbraw/zinc/37/29/47/570372947.db2.gz JCCIWROXKCIQJB-UHFFFAOYSA-N 2 2 286.383 1.741 40 0 CDABLP CC[NH+]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000074536685 364441653 /nfs/dbraw/zinc/44/16/53/364441653.db2.gz IVJHVSMLQZCVAW-UHFFFAOYSA-N 2 2 293.415 1.386 40 0 CDABLP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000064875891 374240293 /nfs/dbraw/zinc/24/02/93/374240293.db2.gz HZIDOLGWYQMWHZ-OAHLLOKOSA-N 2 2 278.396 1.338 40 0 CDABLP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[NH2+]CC2)c1 ZINC000064875891 374240297 /nfs/dbraw/zinc/24/02/97/374240297.db2.gz HZIDOLGWYQMWHZ-OAHLLOKOSA-N 2 2 278.396 1.338 40 0 CDABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257211351 190012343 /nfs/dbraw/zinc/01/23/43/190012343.db2.gz BYOBBFMFWOJQBD-MRXNPFEDSA-N 2 2 298.390 1.892 40 0 CDABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257211351 190012344 /nfs/dbraw/zinc/01/23/44/190012344.db2.gz BYOBBFMFWOJQBD-MRXNPFEDSA-N 2 2 298.390 1.892 40 0 CDABLP [NH3+]CC1C[NH+]([C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952188 174177185 /nfs/dbraw/zinc/17/71/85/174177185.db2.gz IMJNDWDQGGGJDF-HNNXBMFYSA-N 2 2 289.379 1.288 40 0 CDABLP C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000091212123 180112180 /nfs/dbraw/zinc/11/21/80/180112180.db2.gz QNMXOMKUYYRTMR-HNNXBMFYSA-N 2 2 298.390 1.830 40 0 CDABLP C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000091212123 180112181 /nfs/dbraw/zinc/11/21/81/180112181.db2.gz QNMXOMKUYYRTMR-HNNXBMFYSA-N 2 2 298.390 1.830 40 0 CDABLP C[C@H]1CC(C)(C)[NH2+]CCC[NH2+][C@@H](C)CC(C)(C)[NH2+]CCN1 ZINC000068605143 357651609 /nfs/dbraw/zinc/65/16/09/357651609.db2.gz AXJSSPFRZNDANC-GJZGRUSLSA-N 3 2 298.519 1.863 40 0 CDABLP C[C@H]1CC(C)(C)NCC[NH2+][C@@H](C)CC(C)(C)[NH2+]CCC[NH2+]1 ZINC000068605143 357651612 /nfs/dbraw/zinc/65/16/12/357651612.db2.gz AXJSSPFRZNDANC-GJZGRUSLSA-N 3 2 298.519 1.863 40 0 CDABLP Cn1cc[nH+]c1CN1CC2(C1)CC[N@H+](Cc1ccncc1)C2 ZINC000096202553 358719247 /nfs/dbraw/zinc/71/92/47/358719247.db2.gz BBAQZORJGIILNX-UHFFFAOYSA-N 2 2 297.406 1.523 40 0 CDABLP Cn1cc[nH+]c1CN1CC2(C1)CC[N@@H+](Cc1ccncc1)C2 ZINC000096202553 358719250 /nfs/dbraw/zinc/71/92/50/358719250.db2.gz BBAQZORJGIILNX-UHFFFAOYSA-N 2 2 297.406 1.523 40 0 CDABLP Cc1cc(CC2CCN(C(=O)C[NH+](C)C)CC2)cc[nH+]1 ZINC000257214864 190013469 /nfs/dbraw/zinc/01/34/69/190013469.db2.gz CNTNGRNYLWDANB-UHFFFAOYSA-N 2 2 275.396 1.733 40 0 CDABLP C[NH+]1CCC([N@@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257260957 190021999 /nfs/dbraw/zinc/02/19/99/190021999.db2.gz LFESSZWKKMRGCQ-HZPDHXFCSA-N 2 2 294.370 1.344 40 0 CDABLP C[NH+]1CCC([N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257260957 190022000 /nfs/dbraw/zinc/02/20/00/190022000.db2.gz LFESSZWKKMRGCQ-HZPDHXFCSA-N 2 2 294.370 1.344 40 0 CDABLP Cc1[nH+]cc(-c2nccnc2CC2CC[NH2+]CC2)n1C ZINC000257291151 190027921 /nfs/dbraw/zinc/02/79/21/190027921.db2.gz QFWVSGFDGAGMGH-UHFFFAOYSA-N 2 2 271.368 1.728 40 0 CDABLP C[NH2+]C[C@@H]([NH2+]C)c1cc(OC)c(OC)c(OC)c1 ZINC000022873542 171401718 /nfs/dbraw/zinc/40/17/18/171401718.db2.gz VJQMNTDXOIDVGX-SNVBAGLBSA-N 2 2 254.330 1.192 40 0 CDABLP C1=C([NH+]2CCOCC2)CCC([NH+]2CCOCC2)=C1 ZINC000031719477 275411411 /nfs/dbraw/zinc/41/14/11/275411411.db2.gz LFEJYXWRYNZOKS-UHFFFAOYSA-N 2 2 250.342 1.212 40 0 CDABLP COc1ccccc1[C@H]1C[NH2+]CCN1Cc1[nH]cc[nH+]1 ZINC000257254073 278063196 /nfs/dbraw/zinc/06/31/96/278063196.db2.gz KBLKKOQPMYUKIY-CYBMUJFWSA-N 2 2 272.352 1.565 40 0 CDABLP CC(C)(C[NH3+])[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000252485760 333184815 /nfs/dbraw/zinc/18/48/15/333184815.db2.gz HDFHGJPSGPQBTL-NEPJUHHUSA-N 2 2 261.369 1.005 40 0 CDABLP CC(C)(C[NH3+])[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000252485760 333184816 /nfs/dbraw/zinc/18/48/16/333184816.db2.gz HDFHGJPSGPQBTL-NEPJUHHUSA-N 2 2 261.369 1.005 40 0 CDABLP c1c(C[N@@H+]2CCOCC23CC3)sc2c1C[NH2+]CC2 ZINC000873207883 757885404 /nfs/dbraw/zinc/88/54/04/757885404.db2.gz GWSWLIKIPOLQIG-UHFFFAOYSA-N 2 2 264.394 1.759 40 0 CDABLP c1c(C[N@H+]2CCOCC23CC3)sc2c1C[NH2+]CC2 ZINC000873207883 757885405 /nfs/dbraw/zinc/88/54/05/757885405.db2.gz GWSWLIKIPOLQIG-UHFFFAOYSA-N 2 2 264.394 1.759 40 0 CDABLP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cn1 ZINC000096110629 185100990 /nfs/dbraw/zinc/10/09/90/185100990.db2.gz JNNFXHYLKZATFK-IAGOWNOFSA-N 2 2 297.406 1.379 40 0 CDABLP CC[NH+](CC)C[C@@H]1CN(C(C)C)Cc2c[nH+]cn21 ZINC000248179018 362156681 /nfs/dbraw/zinc/15/66/81/362156681.db2.gz XKQXLCHNYIPLEY-CQSZACIVSA-N 2 2 250.390 1.990 40 0 CDABLP O=C(Nc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[NH2+]C1 ZINC000062113153 357469343 /nfs/dbraw/zinc/46/93/43/357469343.db2.gz ODUBMROUWSSWOY-CYBMUJFWSA-N 2 2 270.336 1.479 40 0 CDABLP COCC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096159005 358711270 /nfs/dbraw/zinc/71/12/70/358711270.db2.gz LURJVBODMRHNKR-UHFFFAOYSA-N 2 2 291.395 1.399 40 0 CDABLP C[N@H+](Cc1ccnc([C@@H]2CCCO2)n1)C1CC[NH+](C)CC1 ZINC000257260979 190022722 /nfs/dbraw/zinc/02/27/22/190022722.db2.gz LFHWUYHMTCGOGG-HNNXBMFYSA-N 2 2 290.411 1.854 40 0 CDABLP C[N@@H+](Cc1ccnc([C@@H]2CCCO2)n1)C1CC[NH+](C)CC1 ZINC000257260979 190022723 /nfs/dbraw/zinc/02/27/23/190022723.db2.gz LFHWUYHMTCGOGG-HNNXBMFYSA-N 2 2 290.411 1.854 40 0 CDABLP Cn1c[nH+]cc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257307429 190031342 /nfs/dbraw/zinc/03/13/42/190031342.db2.gz SYPALGHNKHXJQZ-OAHLLOKOSA-N 2 2 256.353 1.567 40 0 CDABLP c1cc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)n[nH]1 ZINC000096074632 185088391 /nfs/dbraw/zinc/08/83/91/185088391.db2.gz LYCJQWNKQVXXIX-UHFFFAOYSA-N 2 2 290.411 1.487 40 0 CDABLP c1cc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)n[nH]1 ZINC000096074632 185088392 /nfs/dbraw/zinc/08/83/92/185088392.db2.gz LYCJQWNKQVXXIX-UHFFFAOYSA-N 2 2 290.411 1.487 40 0 CDABLP C[N@H+]1CCc2[nH+]cc(CNc3cccc[nH+]3)n2CC1 ZINC000096197118 358716105 /nfs/dbraw/zinc/71/61/05/358716105.db2.gz OANDGRJIDWGRAM-UHFFFAOYSA-N 3 2 257.341 1.378 40 0 CDABLP C[N@@H+]1CCc2[nH+]cc(CNc3cccc[nH+]3)n2CC1 ZINC000096197118 358716111 /nfs/dbraw/zinc/71/61/11/358716111.db2.gz OANDGRJIDWGRAM-UHFFFAOYSA-N 3 2 257.341 1.378 40 0 CDABLP c1ccc(NC[C@H]2CO[C@@H]3C[N@@H+](C4CCC4)C[C@H]23)[nH+]c1 ZINC000306137629 374970660 /nfs/dbraw/zinc/97/06/60/374970660.db2.gz RBRHKOJCNHNFOT-NWANDNLSSA-N 2 2 273.380 1.993 40 0 CDABLP c1ccc(NC[C@H]2CO[C@@H]3C[N@H+](C4CCC4)C[C@H]23)[nH+]c1 ZINC000306137629 374970670 /nfs/dbraw/zinc/97/06/70/374970670.db2.gz RBRHKOJCNHNFOT-NWANDNLSSA-N 2 2 273.380 1.993 40 0 CDABLP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257245964 190019616 /nfs/dbraw/zinc/01/96/16/190019616.db2.gz IRWQEKQVCIVBFF-UONOGXRCSA-N 2 2 276.384 1.264 40 0 CDABLP CSc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1 ZINC000022074887 171352078 /nfs/dbraw/zinc/35/20/78/171352078.db2.gz IDKDDQCUUGURJD-NSHDSACASA-N 2 2 254.399 1.469 40 0 CDABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072350494 176373493 /nfs/dbraw/zinc/37/34/93/176373493.db2.gz LSABXAMZAKMHLN-LBPRGKRZSA-N 2 2 257.341 1.780 40 0 CDABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072350494 176373494 /nfs/dbraw/zinc/37/34/94/176373494.db2.gz LSABXAMZAKMHLN-LBPRGKRZSA-N 2 2 257.341 1.780 40 0 CDABLP Cc1cc(-n2cc[nH+]c2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072382904 176388476 /nfs/dbraw/zinc/38/84/76/176388476.db2.gz RFEOHSYRKXOEOF-GFCCVEGCSA-N 2 2 257.341 1.780 40 0 CDABLP Cc1cc(-n2cc[nH+]c2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072382904 176388477 /nfs/dbraw/zinc/38/84/77/176388477.db2.gz RFEOHSYRKXOEOF-GFCCVEGCSA-N 2 2 257.341 1.780 40 0 CDABLP C[N@@H+]1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000046087415 423939049 /nfs/dbraw/zinc/93/90/49/423939049.db2.gz VWZKXMNKLXPKSJ-KRWDZBQOSA-N 2 2 289.423 1.265 40 0 CDABLP C[N@H+]1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000046087415 423939063 /nfs/dbraw/zinc/93/90/63/423939063.db2.gz VWZKXMNKLXPKSJ-KRWDZBQOSA-N 2 2 289.423 1.265 40 0 CDABLP CC[N@@H+]1CCC[C@@](O)(C[NH+]2CCc3sccc3C2)C1 ZINC000041124085 279315615 /nfs/dbraw/zinc/31/56/15/279315615.db2.gz LKGPJZSPNNIOQE-HNNXBMFYSA-N 2 2 280.437 1.953 40 0 CDABLP CC[N@H+]1CCC[C@@](O)(C[NH+]2CCc3sccc3C2)C1 ZINC000041124085 279315616 /nfs/dbraw/zinc/31/56/16/279315616.db2.gz LKGPJZSPNNIOQE-HNNXBMFYSA-N 2 2 280.437 1.953 40 0 CDABLP CC[NH+]1CCC[C@@](O)(C[N@@H+]2CCc3sccc3C2)C1 ZINC000041124085 279315617 /nfs/dbraw/zinc/31/56/17/279315617.db2.gz LKGPJZSPNNIOQE-HNNXBMFYSA-N 2 2 280.437 1.953 40 0 CDABLP CC[NH+]1CCC[C@@](O)(C[N@H+]2CCc3sccc3C2)C1 ZINC000041124085 279315618 /nfs/dbraw/zinc/31/56/18/279315618.db2.gz LKGPJZSPNNIOQE-HNNXBMFYSA-N 2 2 280.437 1.953 40 0 CDABLP Brc1cccc2c([C@H]3C[NH2+]CCO3)[nH+]cn21 ZINC000095698616 342451609 /nfs/dbraw/zinc/45/16/09/342451609.db2.gz PMXWITXTQKAMSR-SECBINFHSA-N 2 2 282.141 1.758 40 0 CDABLP CC[NH2+][C@H]1CCOC2(CCN(c3cc(C)[nH+]cn3)CC2)C1 ZINC000257259182 362581387 /nfs/dbraw/zinc/58/13/87/362581387.db2.gz KXFKOHDWUZLLLV-AWEZNQCLSA-N 2 2 290.411 1.913 40 0 CDABLP Cn1c[nH+]cc1CN(CCC[NH+](C)C)Cc1ccccn1 ZINC000019291813 356479990 /nfs/dbraw/zinc/47/99/90/356479990.db2.gz DEJWDCZQLMUICL-UHFFFAOYSA-N 2 2 287.411 1.769 40 0 CDABLP C[NH+](C)Cc1cnc([C@H]2CC[N@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000257255488 190020565 /nfs/dbraw/zinc/02/05/65/190020565.db2.gz KHRHORIWANITFK-NSHDSACASA-N 2 2 274.372 1.184 40 0 CDABLP C[NH+](C)Cc1cnc([C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000257255488 190020566 /nfs/dbraw/zinc/02/05/66/190020566.db2.gz KHRHORIWANITFK-NSHDSACASA-N 2 2 274.372 1.184 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@H]2CC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000257255488 190020567 /nfs/dbraw/zinc/02/05/67/190020567.db2.gz KHRHORIWANITFK-NSHDSACASA-N 2 2 274.372 1.184 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000257255488 190020568 /nfs/dbraw/zinc/02/05/68/190020568.db2.gz KHRHORIWANITFK-NSHDSACASA-N 2 2 274.372 1.184 40 0 CDABLP CC(C)(C)OC(=O)N(C[C@@H]1CCC[N@@H+]1CC[NH3+])C1CC1 ZINC000079408584 278377772 /nfs/dbraw/zinc/37/77/72/278377772.db2.gz GZBIOVQUKOZRHF-ZDUSSCGKSA-N 2 2 283.416 1.809 40 0 CDABLP CC(C)(C)OC(=O)N(C[C@@H]1CCC[N@H+]1CC[NH3+])C1CC1 ZINC000079408584 278377773 /nfs/dbraw/zinc/37/77/73/278377773.db2.gz GZBIOVQUKOZRHF-ZDUSSCGKSA-N 2 2 283.416 1.809 40 0 CDABLP CC(C)c1[nH+]ccn1C[C@@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000096484731 528372681 /nfs/dbraw/zinc/37/26/81/528372681.db2.gz OQPUCFZDIPNVQJ-IHRRRGAJSA-N 2 2 281.400 1.477 40 0 CDABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000096062294 185083355 /nfs/dbraw/zinc/08/33/55/185083355.db2.gz HPEQOGHBEDDPDD-MRXNPFEDSA-N 2 2 294.395 1.450 40 0 CDABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000096062294 185083357 /nfs/dbraw/zinc/08/33/57/185083357.db2.gz HPEQOGHBEDDPDD-MRXNPFEDSA-N 2 2 294.395 1.450 40 0 CDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096062294 185083358 /nfs/dbraw/zinc/08/33/58/185083358.db2.gz HPEQOGHBEDDPDD-MRXNPFEDSA-N 2 2 294.395 1.450 40 0 CDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096062294 185083360 /nfs/dbraw/zinc/08/33/60/185083360.db2.gz HPEQOGHBEDDPDD-MRXNPFEDSA-N 2 2 294.395 1.450 40 0 CDABLP COc1cc(OC)c(OC)cc1C[NH2+]CCC[NH+](C)C ZINC000057901319 539042026 /nfs/dbraw/zinc/04/20/26/539042026.db2.gz MWQZJVJVKUAJRN-UHFFFAOYSA-N 2 2 282.384 1.754 40 0 CDABLP CN(C[C@@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408391 356992316 /nfs/dbraw/zinc/99/23/16/356992316.db2.gz DQEKVKHDJBOEIT-LBPRGKRZSA-N 2 2 271.405 1.524 40 0 CDABLP CN(C[C@@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408391 356992320 /nfs/dbraw/zinc/99/23/20/356992320.db2.gz DQEKVKHDJBOEIT-LBPRGKRZSA-N 2 2 271.405 1.524 40 0 CDABLP [NH3+]CC[NH+]1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079411394 358069591 /nfs/dbraw/zinc/06/95/91/358069591.db2.gz WLKOXJASENXZGO-UHFFFAOYSA-N 2 2 277.368 1.336 40 0 CDABLP C[NH+](C)Cc1cn2c(n1)C[N@@H+](CC1CCCC1)CC2 ZINC000096197172 358716122 /nfs/dbraw/zinc/71/61/22/358716122.db2.gz DWBQMSVDYZQJKT-UHFFFAOYSA-N 2 2 262.401 1.951 40 0 CDABLP C[NH+](C)Cc1cn2c(n1)C[N@H+](CC1CCCC1)CC2 ZINC000096197172 358716126 /nfs/dbraw/zinc/71/61/26/358716126.db2.gz DWBQMSVDYZQJKT-UHFFFAOYSA-N 2 2 262.401 1.951 40 0 CDABLP CNc1cc(C)[nH+]c([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)c1 ZINC000257246187 190019643 /nfs/dbraw/zinc/01/96/43/190019643.db2.gz ISYHNFBDVLCQNU-HNNXBMFYSA-N 2 2 287.367 1.728 40 0 CDABLP Cn1c[nH+]cc1CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257269746 190023888 /nfs/dbraw/zinc/02/38/88/190023888.db2.gz MRFFANLYMPYQSX-INIZCTEOSA-N 2 2 270.380 1.909 40 0 CDABLP Cn1c[nH+]cc1CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257269746 190023889 /nfs/dbraw/zinc/02/38/89/190023889.db2.gz MRFFANLYMPYQSX-INIZCTEOSA-N 2 2 270.380 1.909 40 0 CDABLP Cc1[nH+]cc(-c2cncc(C[C@@H]3CC[NH2+]C3)n2)n1C ZINC000257298150 190028987 /nfs/dbraw/zinc/02/89/87/190028987.db2.gz RKKIRASXZIGUCQ-NSHDSACASA-N 2 2 257.341 1.338 40 0 CDABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cncn3C)C2)[nH+]1 ZINC000257343800 190037811 /nfs/dbraw/zinc/03/78/11/190037811.db2.gz ZULXUHGEJHUSTJ-LBPRGKRZSA-N 2 2 259.357 1.452 40 0 CDABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3cncn3C)C2)[nH+]1 ZINC000257343800 190037812 /nfs/dbraw/zinc/03/78/12/190037812.db2.gz ZULXUHGEJHUSTJ-LBPRGKRZSA-N 2 2 259.357 1.452 40 0 CDABLP O=C(C1CCC1)N1Cc2c[nH+]cn2[C@@H](C[NH+]2CCCC2)C1 ZINC000247832332 391421906 /nfs/dbraw/zinc/42/19/06/391421906.db2.gz LMTUYZOUNOHEGI-HNNXBMFYSA-N 2 2 288.395 1.662 40 0 CDABLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000072352906 176374522 /nfs/dbraw/zinc/37/45/22/176374522.db2.gz KCUDCINWOHUYFO-AWEZNQCLSA-N 2 2 273.384 1.837 40 0 CDABLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000072352906 176374523 /nfs/dbraw/zinc/37/45/23/176374523.db2.gz KCUDCINWOHUYFO-AWEZNQCLSA-N 2 2 273.384 1.837 40 0 CDABLP Cc1cc(-n2cc[nH+]c2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072382905 176388490 /nfs/dbraw/zinc/38/84/90/176388490.db2.gz RFEOHSYRKXOEOF-LBPRGKRZSA-N 2 2 257.341 1.780 40 0 CDABLP Cc1cc(-n2cc[nH+]c2)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072382905 176388491 /nfs/dbraw/zinc/38/84/91/176388491.db2.gz RFEOHSYRKXOEOF-LBPRGKRZSA-N 2 2 257.341 1.780 40 0 CDABLP COc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+]3C)cc1 ZINC000096048905 185073532 /nfs/dbraw/zinc/07/35/32/185073532.db2.gz WZVGCAYQIBPNEU-UHFFFAOYSA-N 2 2 290.407 1.992 40 0 CDABLP COc1ccc(C[NH+]2CCC3(CC2)COCC[N@H+]3C)cc1 ZINC000096048905 185073533 /nfs/dbraw/zinc/07/35/33/185073533.db2.gz WZVGCAYQIBPNEU-UHFFFAOYSA-N 2 2 290.407 1.992 40 0 CDABLP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[NH2+]CC2)c1C ZINC000064875901 374240707 /nfs/dbraw/zinc/24/07/07/374240707.db2.gz AEABQCKOYCQZBI-HNNXBMFYSA-N 2 2 278.396 1.338 40 0 CDABLP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[NH2+]CC2)c1C ZINC000064875901 374240720 /nfs/dbraw/zinc/24/07/20/374240720.db2.gz AEABQCKOYCQZBI-HNNXBMFYSA-N 2 2 278.396 1.338 40 0 CDABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3ccccn3)CCO2)cc[nH+]1 ZINC000257243077 190018435 /nfs/dbraw/zinc/01/84/35/190018435.db2.gz IFJSECAKJCJEHH-MRXNPFEDSA-N 2 2 298.390 1.892 40 0 CDABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3ccccn3)CCO2)cc[nH+]1 ZINC000257243077 190018436 /nfs/dbraw/zinc/01/84/36/190018436.db2.gz IFJSECAKJCJEHH-MRXNPFEDSA-N 2 2 298.390 1.892 40 0 CDABLP CC(C)(C)OC(=O)CC[NH2+]CC[NH+]1CCCCC1 ZINC000022588561 171393132 /nfs/dbraw/zinc/39/31/32/171393132.db2.gz QQJZBOQOPUTGHV-UHFFFAOYSA-N 2 2 256.390 1.794 40 0 CDABLP C[NH2+]CC1(O)CCN(c2cc(C)[nH+]c3ccncc32)CC1 ZINC000257322168 277264613 /nfs/dbraw/zinc/26/46/13/277264613.db2.gz WEVFJJOTDCMPCF-UHFFFAOYSA-N 2 2 286.379 1.489 40 0 CDABLP C[NH+](C)C[C@]12COC[C@H]1C[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000096108259 185099244 /nfs/dbraw/zinc/09/92/44/185099244.db2.gz PFOPBEMUESZDTQ-CJNGLKHVSA-N 2 2 296.361 1.975 40 0 CDABLP C[NH+](C)C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000096108259 185099246 /nfs/dbraw/zinc/09/92/46/185099246.db2.gz PFOPBEMUESZDTQ-CJNGLKHVSA-N 2 2 296.361 1.975 40 0 CDABLP COc1ccccc1OCC[N@@H+]1CCC[NH2+]CC1 ZINC000041307013 375563649 /nfs/dbraw/zinc/56/36/49/375563649.db2.gz GLZHLVZVHPTYKU-UHFFFAOYSA-N 2 2 250.342 1.369 40 0 CDABLP COc1ccccc1OCC[N@H+]1CCC[NH2+]CC1 ZINC000041307013 375563657 /nfs/dbraw/zinc/56/36/57/375563657.db2.gz GLZHLVZVHPTYKU-UHFFFAOYSA-N 2 2 250.342 1.369 40 0 CDABLP C[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000257250991 190019847 /nfs/dbraw/zinc/01/98/47/190019847.db2.gz JOWRMDFCZQMDBB-UHFFFAOYSA-N 2 2 285.351 1.045 40 0 CDABLP C[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000257250991 190019848 /nfs/dbraw/zinc/01/98/48/190019848.db2.gz JOWRMDFCZQMDBB-UHFFFAOYSA-N 2 2 285.351 1.045 40 0 CDABLP C[N@@H+]1CCOCC12CC[NH+](CC1CCOCC1)CC2 ZINC000096048908 390912346 /nfs/dbraw/zinc/91/23/46/390912346.db2.gz HZUTYVHOFZBHAF-UHFFFAOYSA-N 2 2 268.401 1.210 40 0 CDABLP C[N@H+]1CCOCC12CC[NH+](CC1CCOCC1)CC2 ZINC000096048908 390912347 /nfs/dbraw/zinc/91/23/47/390912347.db2.gz HZUTYVHOFZBHAF-UHFFFAOYSA-N 2 2 268.401 1.210 40 0 CDABLP CCOc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1OCC ZINC000022076046 171352039 /nfs/dbraw/zinc/35/20/39/171352039.db2.gz MJYWNAIJQLWQMX-ZDUSSCGKSA-N 2 2 296.411 1.544 40 0 CDABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000072355919 176375853 /nfs/dbraw/zinc/37/58/53/176375853.db2.gz XMPRFQRJFRSRIZ-NSHDSACASA-N 2 2 257.341 1.692 40 0 CDABLP CC(C)Nc1ncc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000062717639 333175894 /nfs/dbraw/zinc/17/58/94/333175894.db2.gz LWOQNIGZBXSTCM-UHFFFAOYSA-N 2 2 274.372 1.673 40 0 CDABLP C[N@H+]1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000248146413 362153748 /nfs/dbraw/zinc/15/37/48/362153748.db2.gz RWSNTIHRLMNBIJ-ZDUSSCGKSA-N 2 2 290.392 1.290 40 0 CDABLP C[N@@H+]1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000248146413 362153758 /nfs/dbraw/zinc/15/37/58/362153758.db2.gz RWSNTIHRLMNBIJ-ZDUSSCGKSA-N 2 2 290.392 1.290 40 0 CDABLP CN(C[C@@H]1CC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408354 356992073 /nfs/dbraw/zinc/99/20/73/356992073.db2.gz GSVBHMSPESVQRN-NSHDSACASA-N 2 2 257.378 1.134 40 0 CDABLP CN(C[C@@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408354 356992077 /nfs/dbraw/zinc/99/20/77/356992077.db2.gz GSVBHMSPESVQRN-NSHDSACASA-N 2 2 257.378 1.134 40 0 CDABLP C[C@@H](C[NH2+]CCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000047219104 357153884 /nfs/dbraw/zinc/15/38/84/357153884.db2.gz QAJNJEGLSZLGFZ-LBPRGKRZSA-N 2 2 267.373 1.841 40 0 CDABLP COc1ncccc1C[N@@H+]1C[C@@H]2COC[C@@H]([NH+](C)C)[C@@H]2C1 ZINC000096186814 358715416 /nfs/dbraw/zinc/71/54/16/358715416.db2.gz JACAXMPXWSZBJH-RBSFLKMASA-N 2 2 291.395 1.099 40 0 CDABLP COc1ncccc1C[N@H+]1C[C@@H]2COC[C@@H]([NH+](C)C)[C@@H]2C1 ZINC000096186814 358715420 /nfs/dbraw/zinc/71/54/20/358715420.db2.gz JACAXMPXWSZBJH-RBSFLKMASA-N 2 2 291.395 1.099 40 0 CDABLP C[C@@]1(CO)CCC[C@H]1[NH2+]CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000104245187 358953741 /nfs/dbraw/zinc/95/37/41/358953741.db2.gz LBNBPYQPTNKLFN-SYMSYNOKSA-N 2 2 284.444 1.268 40 0 CDABLP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[NH2+]CC1 ZINC000064875919 374241343 /nfs/dbraw/zinc/24/13/43/374241343.db2.gz MEIHIMTXWAKCST-CYBMUJFWSA-N 2 2 284.787 1.375 40 0 CDABLP O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[NH2+]CC1 ZINC000064875919 374241355 /nfs/dbraw/zinc/24/13/55/374241355.db2.gz MEIHIMTXWAKCST-CYBMUJFWSA-N 2 2 284.787 1.375 40 0 CDABLP CO[C@H]1CCCOC12CC[NH+](Cc1[nH]c[nH+]c1C)CC2 ZINC000257274357 190024984 /nfs/dbraw/zinc/02/49/84/190024984.db2.gz NKRBGCVMEJXAKW-AWEZNQCLSA-N 2 2 279.384 1.878 40 0 CDABLP C[NH2+]C[C@@]1(O)CCCN(c2cc(C)[nH+]c3ccncc32)C1 ZINC000257237980 277280823 /nfs/dbraw/zinc/28/08/23/277280823.db2.gz HJBUISPXXMAMIO-INIZCTEOSA-N 2 2 286.379 1.489 40 0 CDABLP C[C@H]1Cc2ccccc2N1C(=O)C[NH2+]CCC[NH+](C)C ZINC000004969378 280030745 /nfs/dbraw/zinc/03/07/45/280030745.db2.gz CNJSCQHPARLYQJ-ZDUSSCGKSA-N 2 2 275.396 1.506 40 0 CDABLP c1cc2n(n1)C[C@@H](C[NH+]1CCCC1)C[N@@H+](CC1CC1)C2 ZINC000253604087 362441117 /nfs/dbraw/zinc/44/11/17/362441117.db2.gz SWZIHYYWPLGKQV-HNNXBMFYSA-N 2 2 274.412 1.821 40 0 CDABLP c1cc2n(n1)C[C@@H](C[NH+]1CCCC1)C[N@H+](CC1CC1)C2 ZINC000253604087 362441123 /nfs/dbraw/zinc/44/11/23/362441123.db2.gz SWZIHYYWPLGKQV-HNNXBMFYSA-N 2 2 274.412 1.821 40 0 CDABLP CC[N@H+](CC[NH3+])[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391771 356988121 /nfs/dbraw/zinc/98/81/21/356988121.db2.gz QWMOZIRGKNUUDS-OAHLLOKOSA-N 2 2 291.395 1.678 40 0 CDABLP CC[N@@H+](CC[NH3+])[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391771 356988124 /nfs/dbraw/zinc/98/81/24/356988124.db2.gz QWMOZIRGKNUUDS-OAHLLOKOSA-N 2 2 291.395 1.678 40 0 CDABLP CC[NH+](CC)CC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219085 357154302 /nfs/dbraw/zinc/15/43/02/357154302.db2.gz KZZBBSLEFOWKNR-LBPRGKRZSA-N 2 2 258.406 1.896 40 0 CDABLP C1=CCN(c2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)C1 ZINC000228932546 570372995 /nfs/dbraw/zinc/37/29/95/570372995.db2.gz AYWFPXDIXCYAOY-UHFFFAOYSA-N 2 2 270.340 1.127 40 0 CDABLP c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@@H+](CC2CC2)C3)c[nH+]1 ZINC000096052080 185074635 /nfs/dbraw/zinc/07/46/35/185074635.db2.gz PKAXKJCIPPEIKT-CVEARBPZSA-N 2 2 291.395 1.401 40 0 CDABLP c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@H+](CC2CC2)C3)c[nH+]1 ZINC000096052080 185074637 /nfs/dbraw/zinc/07/46/37/185074637.db2.gz PKAXKJCIPPEIKT-CVEARBPZSA-N 2 2 291.395 1.401 40 0 CDABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccco1)C2 ZINC000096087602 185094182 /nfs/dbraw/zinc/09/41/82/185094182.db2.gz GSHMFAQRINBXTN-MRXNPFEDSA-N 2 2 294.395 1.450 40 0 CDABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccco1)C2 ZINC000096087602 185094184 /nfs/dbraw/zinc/09/41/84/185094184.db2.gz GSHMFAQRINBXTN-MRXNPFEDSA-N 2 2 294.395 1.450 40 0 CDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1ccco1)C2 ZINC000096087602 185094186 /nfs/dbraw/zinc/09/41/86/185094186.db2.gz GSHMFAQRINBXTN-MRXNPFEDSA-N 2 2 294.395 1.450 40 0 CDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096087602 185094187 /nfs/dbraw/zinc/09/41/87/185094187.db2.gz GSHMFAQRINBXTN-MRXNPFEDSA-N 2 2 294.395 1.450 40 0 CDABLP COc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](C)CCO[C@@H]2C1 ZINC000096107939 185099856 /nfs/dbraw/zinc/09/98/56/185099856.db2.gz BXLJSJGHLVWLAX-GOEBONIOSA-N 2 2 276.380 1.458 40 0 CDABLP COc1ccccc1C[N@H+]1C[C@@H]2C[NH+](C)CCO[C@@H]2C1 ZINC000096107939 185099858 /nfs/dbraw/zinc/09/98/58/185099858.db2.gz BXLJSJGHLVWLAX-GOEBONIOSA-N 2 2 276.380 1.458 40 0 CDABLP COc1ccccc1C[NH+]1C[C@@H]2C[N@H+](C)CCO[C@@H]2C1 ZINC000096107939 185099859 /nfs/dbraw/zinc/09/98/59/185099859.db2.gz BXLJSJGHLVWLAX-GOEBONIOSA-N 2 2 276.380 1.458 40 0 CDABLP COc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](C)CCO[C@@H]2C1 ZINC000096107939 185099860 /nfs/dbraw/zinc/09/98/60/185099860.db2.gz BXLJSJGHLVWLAX-GOEBONIOSA-N 2 2 276.380 1.458 40 0 CDABLP C[C@H]1C[C@@H]([NH2+]Cc2nncn2-c2ccccc2)CC[N@@H+]1C ZINC000152621969 188032502 /nfs/dbraw/zinc/03/25/02/188032502.db2.gz BNZSPDSGMKDABE-KBPBESRZSA-N 2 2 285.395 1.840 40 0 CDABLP C[C@H]1C[C@@H]([NH2+]Cc2nncn2-c2ccccc2)CC[N@H+]1C ZINC000152621969 188032504 /nfs/dbraw/zinc/03/25/04/188032504.db2.gz BNZSPDSGMKDABE-KBPBESRZSA-N 2 2 285.395 1.840 40 0 CDABLP [NH3+]CC[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411400 356994120 /nfs/dbraw/zinc/99/41/20/356994120.db2.gz YZUJNHJWSMQTKT-HNNXBMFYSA-N 2 2 291.395 1.584 40 0 CDABLP [NH3+]CC[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411400 356994123 /nfs/dbraw/zinc/99/41/23/356994123.db2.gz YZUJNHJWSMQTKT-HNNXBMFYSA-N 2 2 291.395 1.584 40 0 CDABLP COc1cccc(N2CC[NH+](CC(C)(C)[NH3+])CC2)c1 ZINC000040925828 361393386 /nfs/dbraw/zinc/39/33/86/361393386.db2.gz MRNAOORVKWTEGS-UHFFFAOYSA-N 2 2 263.385 1.555 40 0 CDABLP COCCCC[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000081016980 374061313 /nfs/dbraw/zinc/06/13/13/374061313.db2.gz YDYUITSAKPMHJS-UHFFFAOYSA-N 2 2 285.457 1.912 40 0 CDABLP CNc1cc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)cc[nH+]1 ZINC000257206196 190011201 /nfs/dbraw/zinc/01/12/01/190011201.db2.gz BCGQIAXBMAVGFI-CYBMUJFWSA-N 2 2 276.384 1.391 40 0 CDABLP C[NH+](C)Cc1cnc([C@@H]2CC[N@H+](Cc3cncnc3)C2)[nH]1 ZINC000257247087 190019586 /nfs/dbraw/zinc/01/95/86/190019586.db2.gz IXJKZUIYHREEDN-CYBMUJFWSA-N 2 2 286.383 1.251 40 0 CDABLP C[NH+](C)Cc1cnc([C@@H]2CC[N@@H+](Cc3cncnc3)C2)[nH]1 ZINC000257247087 190019587 /nfs/dbraw/zinc/01/95/87/190019587.db2.gz IXJKZUIYHREEDN-CYBMUJFWSA-N 2 2 286.383 1.251 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cncnc3)C2)n1 ZINC000257247087 190019588 /nfs/dbraw/zinc/01/95/88/190019588.db2.gz IXJKZUIYHREEDN-CYBMUJFWSA-N 2 2 286.383 1.251 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cncnc3)C2)n1 ZINC000257247087 190019589 /nfs/dbraw/zinc/01/95/89/190019589.db2.gz IXJKZUIYHREEDN-CYBMUJFWSA-N 2 2 286.383 1.251 40 0 CDABLP COc1ccc([C@H]2C[NH2+]CCN2Cc2[nH]c[nH+]c2C)cc1 ZINC000257339178 190037001 /nfs/dbraw/zinc/03/70/01/190037001.db2.gz ZAMRHGFSDAVFIE-MRXNPFEDSA-N 2 2 286.379 1.873 40 0 CDABLP COc1ccc([C@@H](O)C(C[NH+](C)C)C[NH+](C)C)cc1 ZINC000001610808 169724674 /nfs/dbraw/zinc/72/46/74/169724674.db2.gz AHUVJDUMWKOIDL-OAHLLOKOSA-N 2 2 266.385 1.468 40 0 CDABLP CNc1cc([C@@H]2CCCN2C(=O)C2([NH3+])CCCC2)cc[nH+]1 ZINC000585181499 342232724 /nfs/dbraw/zinc/23/27/24/342232724.db2.gz QRQSJLOATIAWRX-ZDUSSCGKSA-N 2 2 288.395 1.480 40 0 CDABLP Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)nc(C)[nH+]1 ZINC000072367918 357831336 /nfs/dbraw/zinc/83/13/36/357831336.db2.gz FFQULQMOUVOEEL-UHFFFAOYSA-N 2 2 283.379 1.811 40 0 CDABLP C[NH+](C)[C@H]1COC[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000096186811 358714941 /nfs/dbraw/zinc/71/49/41/358714941.db2.gz SYTLPLCJWYJBJL-SRVKXCTJSA-N 2 2 267.398 1.152 40 0 CDABLP C[NH+](C)[C@H]1COC[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000096186811 358714944 /nfs/dbraw/zinc/71/49/44/358714944.db2.gz SYTLPLCJWYJBJL-SRVKXCTJSA-N 2 2 267.398 1.152 40 0 CDABLP Cc1c[nH]c([C@H]2CCC[N@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257264974 190023412 /nfs/dbraw/zinc/02/34/12/190023412.db2.gz LWUIVDZUMXJFIA-ZDUSSCGKSA-N 2 2 279.384 1.439 40 0 CDABLP Cc1c[nH]c([C@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257264974 190023413 /nfs/dbraw/zinc/02/34/13/190023413.db2.gz LWUIVDZUMXJFIA-ZDUSSCGKSA-N 2 2 279.384 1.439 40 0 CDABLP C[NH+]1CCC(CCO)([NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000331198768 376717464 /nfs/dbraw/zinc/71/74/64/376717464.db2.gz VMUJZJFVYIKDII-UHFFFAOYSA-N 2 2 294.443 1.575 40 0 CDABLP CC[N@@H+]1CCC[C@](O)(C[NH+](C)Cc2ccc(C)o2)C1 ZINC000041124075 379336483 /nfs/dbraw/zinc/33/64/83/379336483.db2.gz OPZUSJLTPNRDMT-HNNXBMFYSA-N 2 2 266.385 1.867 40 0 CDABLP CC[N@H+]1CCC[C@](O)(C[NH+](C)Cc2ccc(C)o2)C1 ZINC000041124075 379336487 /nfs/dbraw/zinc/33/64/87/379336487.db2.gz OPZUSJLTPNRDMT-HNNXBMFYSA-N 2 2 266.385 1.867 40 0 CDABLP CC[NH+]1CCC[C@](O)(C[N@H+](C)Cc2ccc(C)o2)C1 ZINC000041124075 379336491 /nfs/dbraw/zinc/33/64/91/379336491.db2.gz OPZUSJLTPNRDMT-HNNXBMFYSA-N 2 2 266.385 1.867 40 0 CDABLP CC[NH+]1CCC[C@](O)(C[N@@H+](C)Cc2ccc(C)o2)C1 ZINC000041124075 379336496 /nfs/dbraw/zinc/33/64/96/379336496.db2.gz OPZUSJLTPNRDMT-HNNXBMFYSA-N 2 2 266.385 1.867 40 0 CDABLP COCC[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000096062295 390912327 /nfs/dbraw/zinc/91/23/27/390912327.db2.gz HPEQOGHBEDDPDD-INIZCTEOSA-N 2 2 294.395 1.450 40 0 CDABLP COCC[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccoc1)C2 ZINC000096062295 390912328 /nfs/dbraw/zinc/91/23/28/390912328.db2.gz HPEQOGHBEDDPDD-INIZCTEOSA-N 2 2 294.395 1.450 40 0 CDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096062295 390912329 /nfs/dbraw/zinc/91/23/29/390912329.db2.gz HPEQOGHBEDDPDD-INIZCTEOSA-N 2 2 294.395 1.450 40 0 CDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096062295 390912330 /nfs/dbraw/zinc/91/23/30/390912330.db2.gz HPEQOGHBEDDPDD-INIZCTEOSA-N 2 2 294.395 1.450 40 0 CDABLP Cc1[nH+]cc(-c2nccnc2[C@@H]2CCC[NH2+]C2)n1C ZINC000257306569 302688412 /nfs/dbraw/zinc/68/84/12/302688412.db2.gz SUVPBBLFPGVQFK-LLVKDONJSA-N 2 2 257.341 1.653 40 0 CDABLP COc1ccc([C@@H]2C[NH2+]CCN2Cc2[nH]c[nH+]c2C)cc1 ZINC000257339177 190036878 /nfs/dbraw/zinc/03/68/78/190036878.db2.gz ZAMRHGFSDAVFIE-INIZCTEOSA-N 2 2 286.379 1.873 40 0 CDABLP CCOc1ccc(C[N@H+](C)C[C@@]2(O)CCC[NH+](C)C2)cc1 ZINC000046087351 423939654 /nfs/dbraw/zinc/93/96/54/423939654.db2.gz HLSNXKOXUGZJHR-QGZVFWFLSA-N 2 2 292.423 1.974 40 0 CDABLP CCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCC[NH+](C)C2)cc1 ZINC000046087351 423939667 /nfs/dbraw/zinc/93/96/67/423939667.db2.gz HLSNXKOXUGZJHR-QGZVFWFLSA-N 2 2 292.423 1.974 40 0 CDABLP CCOc1ccc(C[NH+](C)C[C@@]2(O)CCC[N@H+](C)C2)cc1 ZINC000046087351 423939673 /nfs/dbraw/zinc/93/96/73/423939673.db2.gz HLSNXKOXUGZJHR-QGZVFWFLSA-N 2 2 292.423 1.974 40 0 CDABLP CCOc1ccc(C[NH+](C)C[C@@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000046087351 423939684 /nfs/dbraw/zinc/93/96/84/423939684.db2.gz HLSNXKOXUGZJHR-QGZVFWFLSA-N 2 2 292.423 1.974 40 0 CDABLP [NH3+]CCn1ncc2c1nc[nH+]c2N1CCCCCC1 ZINC000026421579 295240972 /nfs/dbraw/zinc/24/09/72/295240972.db2.gz DMNNCTHOUPIHJN-UHFFFAOYSA-N 2 2 260.345 1.165 40 0 CDABLP Cc1cc2[nH+]c(CC(=O)N(C)CC[NH+](C)C)[nH]c2c(C)c1 ZINC000019568364 356491920 /nfs/dbraw/zinc/49/19/20/356491920.db2.gz ORDXGWFKIITFQM-UHFFFAOYSA-N 2 2 288.395 1.742 40 0 CDABLP CCN(C[C@H]1CC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408432 356992244 /nfs/dbraw/zinc/99/22/44/356992244.db2.gz OCRNYFXNMCZDSF-LBPRGKRZSA-N 2 2 271.405 1.524 40 0 CDABLP CCN(C[C@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408432 356992250 /nfs/dbraw/zinc/99/22/50/356992250.db2.gz OCRNYFXNMCZDSF-LBPRGKRZSA-N 2 2 271.405 1.524 40 0 CDABLP CN(C[C@@H]1CCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411447 356994106 /nfs/dbraw/zinc/99/41/06/356994106.db2.gz ZPTUJXHLUOJBQR-HNNXBMFYSA-N 2 2 291.395 1.678 40 0 CDABLP CN(C[C@@H]1CCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411447 356994110 /nfs/dbraw/zinc/99/41/10/356994110.db2.gz ZPTUJXHLUOJBQR-HNNXBMFYSA-N 2 2 291.395 1.678 40 0 CDABLP C[C@H](C[NH2+]CC[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000047219045 357154283 /nfs/dbraw/zinc/15/42/83/357154283.db2.gz YVSXCKGFZTWVQS-GFCCVEGCSA-N 2 2 256.390 1.650 40 0 CDABLP CC[C@@H](C)n1nccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000256051127 190003919 /nfs/dbraw/zinc/00/39/19/190003919.db2.gz HVKNEPHKSUVMDP-CQSZACIVSA-N 2 2 280.416 1.666 40 0 CDABLP C[N@@H+]1CC[C@@]2(CCC[NH+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257302958 190030093 /nfs/dbraw/zinc/03/00/93/190030093.db2.gz SFDOBHKCFPPKDQ-HOTGVXAUSA-N 2 2 260.381 1.718 40 0 CDABLP C[N@H+]1CC[C@@]2(CCC[NH+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257302958 190030094 /nfs/dbraw/zinc/03/00/94/190030094.db2.gz SFDOBHKCFPPKDQ-HOTGVXAUSA-N 2 2 260.381 1.718 40 0 CDABLP C[NH+]1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257302958 190030095 /nfs/dbraw/zinc/03/00/95/190030095.db2.gz SFDOBHKCFPPKDQ-HOTGVXAUSA-N 2 2 260.381 1.718 40 0 CDABLP C[NH+]1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257302958 190030096 /nfs/dbraw/zinc/03/00/96/190030096.db2.gz SFDOBHKCFPPKDQ-HOTGVXAUSA-N 2 2 260.381 1.718 40 0 CDABLP COc1ccc([C@H]2C[NH2+]CCN2Cc2c[nH+]c[nH]2)cc1 ZINC000257321969 190033779 /nfs/dbraw/zinc/03/37/79/190033779.db2.gz WECDYXDNKUZSFD-OAHLLOKOSA-N 2 2 272.352 1.565 40 0 CDABLP COc1ccc([C@H]2C[NH2+]CCN2Cc2c[nH]c[nH+]2)cc1 ZINC000257321969 190033780 /nfs/dbraw/zinc/03/37/80/190033780.db2.gz WECDYXDNKUZSFD-OAHLLOKOSA-N 2 2 272.352 1.565 40 0 CDABLP C[N@H+](CCc1ccccn1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000041124032 379337203 /nfs/dbraw/zinc/33/72/03/379337203.db2.gz VAXJVWGDSHVPHS-OAHLLOKOSA-N 2 2 263.385 1.013 40 0 CDABLP C[N@@H+](CCc1ccccn1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000041124032 379337212 /nfs/dbraw/zinc/33/72/12/379337212.db2.gz VAXJVWGDSHVPHS-OAHLLOKOSA-N 2 2 263.385 1.013 40 0 CDABLP C[NH+](CCc1ccccn1)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000041124032 379337219 /nfs/dbraw/zinc/33/72/19/379337219.db2.gz VAXJVWGDSHVPHS-OAHLLOKOSA-N 2 2 263.385 1.013 40 0 CDABLP C[NH+](CCc1ccccn1)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000041124032 379337226 /nfs/dbraw/zinc/33/72/26/379337226.db2.gz VAXJVWGDSHVPHS-OAHLLOKOSA-N 2 2 263.385 1.013 40 0 CDABLP Cn1cc[nH+]c1CNC(=O)c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072365712 176381189 /nfs/dbraw/zinc/38/11/89/176381189.db2.gz KCVWOKVMDIYQMN-LBPRGKRZSA-N 2 2 299.378 1.212 40 0 CDABLP C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247354605 524522927 /nfs/dbraw/zinc/52/29/27/524522927.db2.gz HDCYVZHEHHPOQK-BMFZPTHFSA-N 2 2 298.390 1.993 40 0 CDABLP C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247354605 524522929 /nfs/dbraw/zinc/52/29/29/524522929.db2.gz HDCYVZHEHHPOQK-BMFZPTHFSA-N 2 2 298.390 1.993 40 0 CDABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[NH2+]C2)n1C ZINC000257306570 279147646 /nfs/dbraw/zinc/14/76/46/279147646.db2.gz SUVPBBLFPGVQFK-NSHDSACASA-N 2 2 257.341 1.653 40 0 CDABLP C[C@@H](C(=O)NCc1[nH]cc[nH+]1)[NH+]1CCCCCC1 ZINC000081385797 362211544 /nfs/dbraw/zinc/21/15/44/362211544.db2.gz CBCBLJNQLGJSTP-NSHDSACASA-N 2 2 250.346 1.290 40 0 CDABLP Cc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc[nH+]1 ZINC000072385523 357831905 /nfs/dbraw/zinc/83/19/05/357831905.db2.gz AEUDVQBTDBRCKF-ZDUSSCGKSA-N 2 2 271.368 1.978 40 0 CDABLP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccoc1)C2 ZINC000096217497 358722496 /nfs/dbraw/zinc/72/24/96/358722496.db2.gz SXCFCILYNLSBCV-HUUCEWRRSA-N 2 2 264.369 1.680 40 0 CDABLP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccoc1)C2 ZINC000096217497 358722500 /nfs/dbraw/zinc/72/25/00/358722500.db2.gz SXCFCILYNLSBCV-HUUCEWRRSA-N 2 2 264.369 1.680 40 0 CDABLP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccoc1)C2 ZINC000096217497 358722505 /nfs/dbraw/zinc/72/25/05/358722505.db2.gz SXCFCILYNLSBCV-HUUCEWRRSA-N 2 2 264.369 1.680 40 0 CDABLP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccoc1)C2 ZINC000096217497 358722509 /nfs/dbraw/zinc/72/25/09/358722509.db2.gz SXCFCILYNLSBCV-HUUCEWRRSA-N 2 2 264.369 1.680 40 0 CDABLP C[NH2+][C@@H]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000333313849 205211194 /nfs/dbraw/zinc/21/11/94/205211194.db2.gz MBIQSPORJDSIQV-LLVKDONJSA-N 2 2 259.313 1.160 40 0 CDABLP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000064875893 374240531 /nfs/dbraw/zinc/24/05/31/374240531.db2.gz HZIDOLGWYQMWHZ-HNNXBMFYSA-N 2 2 278.396 1.338 40 0 CDABLP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCC[NH2+]CC2)c1 ZINC000064875893 374240537 /nfs/dbraw/zinc/24/05/37/374240537.db2.gz HZIDOLGWYQMWHZ-HNNXBMFYSA-N 2 2 278.396 1.338 40 0 CDABLP COc1ncccc1C[N@@H+]1C[C@@H]2COC[C@H]([NH+](C)C)[C@@H]2C1 ZINC000306130250 374967975 /nfs/dbraw/zinc/96/79/75/374967975.db2.gz JACAXMPXWSZBJH-KFWWJZLASA-N 2 2 291.395 1.099 40 0 CDABLP COc1ncccc1C[N@H+]1C[C@@H]2COC[C@H]([NH+](C)C)[C@@H]2C1 ZINC000306130250 374967982 /nfs/dbraw/zinc/96/79/82/374967982.db2.gz JACAXMPXWSZBJH-KFWWJZLASA-N 2 2 291.395 1.099 40 0 CDABLP Cc1n[nH]cc1C[N@H+]1CC[C@@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257239895 190017676 /nfs/dbraw/zinc/01/76/76/190017676.db2.gz HRHCLDOUXBYMMZ-GFCCVEGCSA-N 2 2 288.399 1.492 40 0 CDABLP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257239895 190017677 /nfs/dbraw/zinc/01/76/77/190017677.db2.gz HRHCLDOUXBYMMZ-GFCCVEGCSA-N 2 2 288.399 1.492 40 0 CDABLP Cc1n[nH]cc1C[N@H+]1CC[C@@H](c2nc(C[NH+](C)C)c[nH]2)C1 ZINC000257239895 190017678 /nfs/dbraw/zinc/01/76/78/190017678.db2.gz HRHCLDOUXBYMMZ-GFCCVEGCSA-N 2 2 288.399 1.492 40 0 CDABLP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](c2nc(C[NH+](C)C)c[nH]2)C1 ZINC000257239895 190017679 /nfs/dbraw/zinc/01/76/79/190017679.db2.gz HRHCLDOUXBYMMZ-GFCCVEGCSA-N 2 2 288.399 1.492 40 0 CDABLP C[NH+](C)Cc1cnc([C@H]2CC[N@H+](Cc3cncnc3)C2)[nH]1 ZINC000257247088 190019682 /nfs/dbraw/zinc/01/96/82/190019682.db2.gz IXJKZUIYHREEDN-ZDUSSCGKSA-N 2 2 286.383 1.251 40 0 CDABLP C[NH+](C)Cc1cnc([C@H]2CC[N@@H+](Cc3cncnc3)C2)[nH]1 ZINC000257247088 190019683 /nfs/dbraw/zinc/01/96/83/190019683.db2.gz IXJKZUIYHREEDN-ZDUSSCGKSA-N 2 2 286.383 1.251 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@H]2CC[N@H+](Cc3cncnc3)C2)n1 ZINC000257247088 190019684 /nfs/dbraw/zinc/01/96/84/190019684.db2.gz IXJKZUIYHREEDN-ZDUSSCGKSA-N 2 2 286.383 1.251 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cncnc3)C2)n1 ZINC000257247088 190019685 /nfs/dbraw/zinc/01/96/85/190019685.db2.gz IXJKZUIYHREEDN-ZDUSSCGKSA-N 2 2 286.383 1.251 40 0 CDABLP C[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@@H]1c1ccccc1 ZINC000257299166 190029828 /nfs/dbraw/zinc/02/98/28/190029828.db2.gz ROZDFTDOJQTONL-CQSZACIVSA-N 2 2 256.353 1.898 40 0 CDABLP CCOc1ccc(C[N@H+](C)C[C@]2(O)CCC[NH+](C)C2)cc1 ZINC000046087349 423940537 /nfs/dbraw/zinc/94/05/37/423940537.db2.gz HLSNXKOXUGZJHR-KRWDZBQOSA-N 2 2 292.423 1.974 40 0 CDABLP CCOc1ccc(C[N@@H+](C)C[C@]2(O)CCC[NH+](C)C2)cc1 ZINC000046087349 423940547 /nfs/dbraw/zinc/94/05/47/423940547.db2.gz HLSNXKOXUGZJHR-KRWDZBQOSA-N 2 2 292.423 1.974 40 0 CDABLP CCOc1ccc(C[NH+](C)C[C@]2(O)CCC[N@H+](C)C2)cc1 ZINC000046087349 423940559 /nfs/dbraw/zinc/94/05/59/423940559.db2.gz HLSNXKOXUGZJHR-KRWDZBQOSA-N 2 2 292.423 1.974 40 0 CDABLP CCOc1ccc(C[NH+](C)C[C@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000046087349 423940567 /nfs/dbraw/zinc/94/05/67/423940567.db2.gz HLSNXKOXUGZJHR-KRWDZBQOSA-N 2 2 292.423 1.974 40 0 CDABLP Cc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)n1 ZINC000096108246 185099455 /nfs/dbraw/zinc/09/94/55/185099455.db2.gz CVEVDIRUHUXJNJ-ZBFHGGJFSA-N 2 2 275.396 1.400 40 0 CDABLP Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)n1 ZINC000096108246 185099458 /nfs/dbraw/zinc/09/94/58/185099458.db2.gz CVEVDIRUHUXJNJ-ZBFHGGJFSA-N 2 2 275.396 1.400 40 0 CDABLP CC[NH+](CC)CCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062718502 364841363 /nfs/dbraw/zinc/84/13/63/364841363.db2.gz PEFNXSQRSLXQFT-UHFFFAOYSA-N 2 2 291.443 1.898 40 0 CDABLP Cc1[nH+]c[nH]c1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257200327 190010490 /nfs/dbraw/zinc/01/04/90/190010490.db2.gz ACWNZTVATPCVSP-HUUCEWRRSA-N 2 2 273.336 1.342 40 0 CDABLP Cc1[nH+]c[nH]c1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257200327 190010491 /nfs/dbraw/zinc/01/04/91/190010491.db2.gz ACWNZTVATPCVSP-HUUCEWRRSA-N 2 2 273.336 1.342 40 0 CDABLP CCc1[nH]c(C[N@@H+]2C[C@H](OC)[C@]3(CCCO3)C2)c(C)[nH+]1 ZINC000257274196 190024805 /nfs/dbraw/zinc/02/48/05/190024805.db2.gz NJYFXJSXADMSIG-ZFWWWQNUSA-N 2 2 279.384 1.660 40 0 CDABLP CCc1[nH]c(C[N@H+]2C[C@H](OC)[C@]3(CCCO3)C2)c(C)[nH+]1 ZINC000257274196 190024806 /nfs/dbraw/zinc/02/48/06/190024806.db2.gz NJYFXJSXADMSIG-ZFWWWQNUSA-N 2 2 279.384 1.660 40 0 CDABLP C[NH+](C)CC[C@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000248102723 391426759 /nfs/dbraw/zinc/42/67/59/391426759.db2.gz IAPFVFBXEYDYTM-HNNXBMFYSA-N 3 2 292.427 1.618 40 0 CDABLP C[NH+](C)CC[C@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000248102723 391426764 /nfs/dbraw/zinc/42/67/64/391426764.db2.gz IAPFVFBXEYDYTM-HNNXBMFYSA-N 3 2 292.427 1.618 40 0 CDABLP CCN1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1=O ZINC000333526545 285470345 /nfs/dbraw/zinc/47/03/45/285470345.db2.gz IDAKOMFEEHRMBA-DDTOSNHZSA-N 2 2 259.353 1.342 40 0 CDABLP Cn1ccnc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000072364296 176379660 /nfs/dbraw/zinc/37/96/60/176379660.db2.gz AOXMYLRPIBKAQX-UHFFFAOYSA-N 2 2 273.384 1.608 40 0 CDABLP CCN(CC)c1[nH+]cnc2c1cnn2C1CC[NH2+]CC1 ZINC000228919532 260317514 /nfs/dbraw/zinc/31/75/14/260317514.db2.gz PVOMVLQYRIKBMZ-UHFFFAOYSA-N 2 2 274.372 1.597 40 0 CDABLP C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107940 185100115 /nfs/dbraw/zinc/10/01/15/185100115.db2.gz RLRZHRUMALZIEB-MAUKXSAKSA-N 2 2 297.402 1.997 40 0 CDABLP C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107940 185100117 /nfs/dbraw/zinc/10/01/17/185100117.db2.gz RLRZHRUMALZIEB-MAUKXSAKSA-N 2 2 297.402 1.997 40 0 CDABLP C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107940 185100118 /nfs/dbraw/zinc/10/01/18/185100118.db2.gz RLRZHRUMALZIEB-MAUKXSAKSA-N 2 2 297.402 1.997 40 0 CDABLP C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107940 185100120 /nfs/dbraw/zinc/10/01/20/185100120.db2.gz RLRZHRUMALZIEB-MAUKXSAKSA-N 2 2 297.402 1.997 40 0 CDABLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000333653537 363078843 /nfs/dbraw/zinc/07/88/43/363078843.db2.gz ZKAFZQVAFWQBMU-VXGBXAGGSA-N 2 2 273.340 1.726 40 0 CDABLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](Cc1ccncc1)C2 ZINC000096197220 358716462 /nfs/dbraw/zinc/71/64/62/358716462.db2.gz KFWPLOUUGOOEAF-UHFFFAOYSA-N 2 2 297.406 1.890 40 0 CDABLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](Cc1ccncc1)C2 ZINC000096197220 358716464 /nfs/dbraw/zinc/71/64/64/358716464.db2.gz KFWPLOUUGOOEAF-UHFFFAOYSA-N 2 2 297.406 1.890 40 0 CDABLP CCCc1nnc([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000049170317 373982179 /nfs/dbraw/zinc/98/21/79/373982179.db2.gz QJKPEHBKWYVQAZ-LBPRGKRZSA-N 2 2 278.400 1.906 40 0 biogenic,in-vitro CDABLP CCCc1nnc([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000049170317 373982183 /nfs/dbraw/zinc/98/21/83/373982183.db2.gz QJKPEHBKWYVQAZ-LBPRGKRZSA-N 2 2 278.400 1.906 40 0 biogenic,in-vitro CDABLP CNc1cc([C@@H]2CCCN2C(=O)Cn2cc[nH+]c2C)cc[nH+]1 ZINC000257223339 190014592 /nfs/dbraw/zinc/01/45/92/190014592.db2.gz DWXKVEVURSYUJE-AWEZNQCLSA-N 2 2 299.378 1.992 40 0 CDABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000072355918 176375736 /nfs/dbraw/zinc/37/57/36/176375736.db2.gz XMPRFQRJFRSRIZ-LLVKDONJSA-N 2 2 257.341 1.692 40 0 CDABLP COc1ncc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000072398255 176396632 /nfs/dbraw/zinc/39/66/32/176396632.db2.gz JCAOORRYJGQHRP-UHFFFAOYSA-N 2 2 278.400 1.790 40 0 CDABLP COc1ncc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000072398255 176396633 /nfs/dbraw/zinc/39/66/33/176396633.db2.gz JCAOORRYJGQHRP-UHFFFAOYSA-N 2 2 278.400 1.790 40 0 CDABLP C[C@H](C[NH2+]C1CCC2(CC1)OCCO2)C[NH+]1CCOCC1 ZINC000155937234 351428109 /nfs/dbraw/zinc/42/81/09/351428109.db2.gz ZRKWEBQZZDLLQJ-CQSZACIVSA-N 2 2 298.427 1.230 40 0 CDABLP [NH3+]CC[N@@H+]1CCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000079411364 356993326 /nfs/dbraw/zinc/99/33/26/356993326.db2.gz XVMFEABJNQHHHT-CQSZACIVSA-N 2 2 277.368 1.336 40 0 CDABLP [NH3+]CC[N@H+]1CCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000079411364 356993329 /nfs/dbraw/zinc/99/33/29/356993329.db2.gz XVMFEABJNQHHHT-CQSZACIVSA-N 2 2 277.368 1.336 40 0 CDABLP C[NH+]1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000224501972 359511852 /nfs/dbraw/zinc/51/18/52/359511852.db2.gz HCJJFZXCBHZQIG-UHFFFAOYSA-N 2 2 298.390 1.755 40 0 CDABLP COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1c[nH+]c[nH]1 ZINC000257250778 190019754 /nfs/dbraw/zinc/01/97/54/190019754.db2.gz JNYXUSMPOBVMTE-AWEZNQCLSA-N 2 2 272.352 1.565 40 0 CDABLP COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1c[nH]c[nH+]1 ZINC000257250778 190019755 /nfs/dbraw/zinc/01/97/55/190019755.db2.gz JNYXUSMPOBVMTE-AWEZNQCLSA-N 2 2 272.352 1.565 40 0 CDABLP [NH3+][C@@H]1CC[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257259866 190022058 /nfs/dbraw/zinc/02/20/58/190022058.db2.gz LAIWMUQTIOOBLU-WCVJEAGWSA-N 2 2 291.395 1.166 40 0 CDABLP Nc1nc(N2CC[C@H]([NH3+])C2)c2c([nH+]1)-c1ccccc1CCC2 ZINC000208215318 391519919 /nfs/dbraw/zinc/51/99/19/391519919.db2.gz SDTRYHWIXVHTLM-LBPRGKRZSA-N 2 2 295.390 1.752 40 0 CDABLP C[N@H+](CC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231303599 360440065 /nfs/dbraw/zinc/44/00/65/360440065.db2.gz UFOQDHIXGWNSTC-GFCCVEGCSA-N 2 2 279.359 1.838 40 0 CDABLP C[N@@H+](CC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231303599 360440070 /nfs/dbraw/zinc/44/00/70/360440070.db2.gz UFOQDHIXGWNSTC-GFCCVEGCSA-N 2 2 279.359 1.838 40 0 CDABLP Cc1[nH+]cc(-c2cncc([C@@H]3CCC[N@H+](C)C3)n2)n1C ZINC000257333735 190035714 /nfs/dbraw/zinc/03/57/14/190035714.db2.gz YCVXFMQDWLVGNP-GFCCVEGCSA-N 2 2 271.368 1.995 40 0 CDABLP Cc1[nH+]cc(-c2cncc([C@@H]3CCC[N@@H+](C)C3)n2)n1C ZINC000257333735 190035715 /nfs/dbraw/zinc/03/57/15/190035715.db2.gz YCVXFMQDWLVGNP-GFCCVEGCSA-N 2 2 271.368 1.995 40 0 CDABLP CN(Cc1cccs1)c1[nH+]cnc2c1cnn2CC[NH3+] ZINC000096524251 256731738 /nfs/dbraw/zinc/73/17/38/256731738.db2.gz QKUURCMICZQWGL-UHFFFAOYSA-N 2 2 288.380 1.483 40 0 CDABLP CC[NH+](CC)Cc1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC000070453752 390942627 /nfs/dbraw/zinc/94/26/27/390942627.db2.gz BNRXEUQPADZGEI-ZDUSSCGKSA-N 2 2 260.341 1.960 40 0 CDABLP Cc1cccc(N2CCn3c(Cn4cncn4)c[nH+]c3C2)[nH+]1 ZINC000096070125 398069691 /nfs/dbraw/zinc/06/96/91/398069691.db2.gz RLRMLXIZOGUREE-UHFFFAOYSA-N 2 2 295.350 1.247 40 0 CDABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000072380743 176387404 /nfs/dbraw/zinc/38/74/04/176387404.db2.gz BPWCPVVNDIOADU-NSHDSACASA-N 2 2 257.341 1.692 40 0 CDABLP CN(C[C@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408381 356992776 /nfs/dbraw/zinc/99/27/76/356992776.db2.gz FYDFWGBPQLCRFA-GFCCVEGCSA-N 2 2 271.405 1.667 40 0 CDABLP CN(C[C@H]1CCCC[N@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408381 356992780 /nfs/dbraw/zinc/99/27/80/356992780.db2.gz FYDFWGBPQLCRFA-GFCCVEGCSA-N 2 2 271.405 1.667 40 0 CDABLP Cn1cncc1C[N@@H+]1CC[C@@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257252053 190019995 /nfs/dbraw/zinc/01/99/95/190019995.db2.gz JTJKABXJHCMDOX-GFCCVEGCSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cncc1C[N@H+]1CC[C@@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257252053 190019996 /nfs/dbraw/zinc/01/99/96/190019996.db2.gz JTJKABXJHCMDOX-GFCCVEGCSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cncc1C[N@@H+]1CC[C@@H](c2nc(C[NH+](C)C)c[nH]2)C1 ZINC000257252053 190019997 /nfs/dbraw/zinc/01/99/97/190019997.db2.gz JTJKABXJHCMDOX-GFCCVEGCSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cncc1C[N@H+]1CC[C@@H](c2nc(C[NH+](C)C)c[nH]2)C1 ZINC000257252053 190019998 /nfs/dbraw/zinc/01/99/98/190019998.db2.gz JTJKABXJHCMDOX-GFCCVEGCSA-N 2 2 288.399 1.194 40 0 CDABLP CC(=O)N1CCC([N@@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257274499 190024926 /nfs/dbraw/zinc/02/49/26/190024926.db2.gz NLILVIFVJXUIBP-CYBMUJFWSA-N 2 2 276.384 1.518 40 0 CDABLP CC(=O)N1CCC([N@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257274499 190024927 /nfs/dbraw/zinc/02/49/27/190024927.db2.gz NLILVIFVJXUIBP-CYBMUJFWSA-N 2 2 276.384 1.518 40 0 CDABLP Nc1ncc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000062718691 350413331 /nfs/dbraw/zinc/41/33/31/350413331.db2.gz ZUTHUUWTLFVLSQ-UHFFFAOYSA-N 2 2 282.351 1.658 40 0 CDABLP Cn1cc(C[NH2+]CCC[NH+](C)C)c(C(F)(F)F)n1 ZINC000256052711 190004289 /nfs/dbraw/zinc/00/42/89/190004289.db2.gz OIMYTHWVRJNQGW-UHFFFAOYSA-N 2 2 264.295 1.480 40 0 CDABLP C[NH+](C)Cc1cnc([C@@H]2CC[N@H+](Cc3cncs3)C2)[nH]1 ZINC000257205194 190011678 /nfs/dbraw/zinc/01/16/78/190011678.db2.gz AYAOZFHTKARGNR-LLVKDONJSA-N 2 2 291.424 1.917 40 0 CDABLP C[NH+](C)Cc1cnc([C@@H]2CC[N@@H+](Cc3cncs3)C2)[nH]1 ZINC000257205194 190011679 /nfs/dbraw/zinc/01/16/79/190011679.db2.gz AYAOZFHTKARGNR-LLVKDONJSA-N 2 2 291.424 1.917 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cncs3)C2)n1 ZINC000257205194 190011680 /nfs/dbraw/zinc/01/16/80/190011680.db2.gz AYAOZFHTKARGNR-LLVKDONJSA-N 2 2 291.424 1.917 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cncs3)C2)n1 ZINC000257205194 190011681 /nfs/dbraw/zinc/01/16/81/190011681.db2.gz AYAOZFHTKARGNR-LLVKDONJSA-N 2 2 291.424 1.917 40 0 CDABLP COc1ncc(C[N@@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257323810 190034245 /nfs/dbraw/zinc/03/42/45/190034245.db2.gz WLXGBBLHWJBQNB-LBPRGKRZSA-N 2 2 273.340 1.506 40 0 CDABLP COc1ncc(C[N@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257323810 190034246 /nfs/dbraw/zinc/03/42/46/190034246.db2.gz WLXGBBLHWJBQNB-LBPRGKRZSA-N 2 2 273.340 1.506 40 0 CDABLP Cn1cc[nH+]c1CNc1cccc(C2CC[NH2+]CC2)n1 ZINC000072386926 176392781 /nfs/dbraw/zinc/39/27/81/176392781.db2.gz YXVZBKVYYOUUNH-UHFFFAOYSA-N 2 2 271.368 1.894 40 0 CDABLP C[NH+]1CCC([N@@H+]2CCOC[C@H](Oc3ccccc3)C2)CC1 ZINC000096296487 327114250 /nfs/dbraw/zinc/11/42/50/327114250.db2.gz GNBHECQRKXKUML-QGZVFWFLSA-N 2 2 290.407 1.860 40 0 biogenic,in-vitro CDABLP C[NH+]1CCC([N@H+]2CCOC[C@H](Oc3ccccc3)C2)CC1 ZINC000096296487 327114251 /nfs/dbraw/zinc/11/42/51/327114251.db2.gz GNBHECQRKXKUML-QGZVFWFLSA-N 2 2 290.407 1.860 40 0 biogenic,in-vitro CDABLP C[N@@H+]1CCOCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096048906 185072728 /nfs/dbraw/zinc/07/27/28/185072728.db2.gz IMBTVSZQQUXLAE-UHFFFAOYSA-N 2 2 261.369 1.378 40 0 CDABLP C[N@H+]1CCOCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096048906 185072729 /nfs/dbraw/zinc/07/27/29/185072729.db2.gz IMBTVSZQQUXLAE-UHFFFAOYSA-N 2 2 261.369 1.378 40 0 CDABLP [NH3+]CC[N@@H+]1CC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411374 356993689 /nfs/dbraw/zinc/99/36/89/356993689.db2.gz NMYCCDRRGOHSMV-CQSZACIVSA-N 2 2 277.368 1.193 40 0 CDABLP [NH3+]CC[N@H+]1CC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411374 356993693 /nfs/dbraw/zinc/99/36/93/356993693.db2.gz NMYCCDRRGOHSMV-CQSZACIVSA-N 2 2 277.368 1.193 40 0 CDABLP c1cn(C[C@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)c[nH+]1 ZINC000096250227 358726562 /nfs/dbraw/zinc/72/65/62/358726562.db2.gz HYCNUIXRCHWTES-HYVNUMGLSA-N 2 2 298.390 1.958 40 0 CDABLP c1cn(C[C@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)c[nH+]1 ZINC000096250227 358726565 /nfs/dbraw/zinc/72/65/65/358726565.db2.gz HYCNUIXRCHWTES-HYVNUMGLSA-N 2 2 298.390 1.958 40 0 CDABLP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[NH2+]CC2)c1C ZINC000064875899 374241405 /nfs/dbraw/zinc/24/14/05/374241405.db2.gz AEABQCKOYCQZBI-OAHLLOKOSA-N 2 2 278.396 1.338 40 0 CDABLP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[NH2+]CC2)c1C ZINC000064875899 374241410 /nfs/dbraw/zinc/24/14/10/374241410.db2.gz AEABQCKOYCQZBI-OAHLLOKOSA-N 2 2 278.396 1.338 40 0 CDABLP C[N@H+](Cc1cccs1)C[C@]1(O)CCC[NH+](C)C1 ZINC000041123523 379333841 /nfs/dbraw/zinc/33/38/41/379333841.db2.gz PCPNVIYFYNSKOY-ZDUSSCGKSA-N 2 2 254.399 1.637 40 0 CDABLP C[N@@H+](Cc1cccs1)C[C@]1(O)CCC[NH+](C)C1 ZINC000041123523 379333847 /nfs/dbraw/zinc/33/38/47/379333847.db2.gz PCPNVIYFYNSKOY-ZDUSSCGKSA-N 2 2 254.399 1.637 40 0 CDABLP C[NH+](Cc1cccs1)C[C@]1(O)CCC[N@H+](C)C1 ZINC000041123523 379333852 /nfs/dbraw/zinc/33/38/52/379333852.db2.gz PCPNVIYFYNSKOY-ZDUSSCGKSA-N 2 2 254.399 1.637 40 0 CDABLP C[NH+](Cc1cccs1)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000041123523 379333858 /nfs/dbraw/zinc/33/38/58/379333858.db2.gz PCPNVIYFYNSKOY-ZDUSSCGKSA-N 2 2 254.399 1.637 40 0 CDABLP CCOc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1OCC ZINC000022076044 171352192 /nfs/dbraw/zinc/35/21/92/171352192.db2.gz MJYWNAIJQLWQMX-CYBMUJFWSA-N 2 2 296.411 1.544 40 0 CDABLP CCN(CC)c1cc(N2CCC[C@@H]([NH2+]C)C2)nc[nH+]1 ZINC000079440084 374405129 /nfs/dbraw/zinc/40/51/29/374405129.db2.gz KAKCSGJYXYNDKU-GFCCVEGCSA-N 2 2 263.389 1.511 40 0 CDABLP Cn1nc(C(F)(F)F)cc1C[NH2+]CCC[NH+](C)C ZINC000256051810 190003922 /nfs/dbraw/zinc/00/39/22/190003922.db2.gz KOMRBIJEIUWVME-UHFFFAOYSA-N 2 2 264.295 1.480 40 0 CDABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cncn3C)C2)[nH+]1 ZINC000257219013 190014249 /nfs/dbraw/zinc/01/42/49/190014249.db2.gz DFGKLSCYRUNGON-LBPRGKRZSA-N 2 2 259.357 1.831 40 0 CDABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cncn3C)C2)[nH+]1 ZINC000257219013 190014250 /nfs/dbraw/zinc/01/42/50/190014250.db2.gz DFGKLSCYRUNGON-LBPRGKRZSA-N 2 2 259.357 1.831 40 0 CDABLP CO[C@@H]1CCCOC12CC[NH+](Cc1[nH]c[nH+]c1C)CC2 ZINC000257274358 190024676 /nfs/dbraw/zinc/02/46/76/190024676.db2.gz NKRBGCVMEJXAKW-CQSZACIVSA-N 2 2 279.384 1.878 40 0 CDABLP Nc1cc(CC[C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc[nH+]1 ZINC000257301460 190030429 /nfs/dbraw/zinc/03/04/29/190030429.db2.gz RYNKCWGRYPYRLR-CYBMUJFWSA-N 2 2 287.367 1.221 40 0 CDABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12 ZINC000257323018 190034086 /nfs/dbraw/zinc/03/40/86/190034086.db2.gz WIKUKIVBIIGMAH-CJNGLKHVSA-N 2 2 290.411 1.579 40 0 CDABLP c1ccc2c(NCCC[NH+]3CCOCC3)cn[nH+]c2c1 ZINC000041123488 379333730 /nfs/dbraw/zinc/33/37/30/379333730.db2.gz JZXAANOVPHAZJA-UHFFFAOYSA-N 2 2 272.352 1.764 40 0 CDABLP CC[NH+](CC)[C@H]1COC[C@@H]2CN(Cc3[nH+]ccn3C)C[C@@H]21 ZINC000096186816 256816805 /nfs/dbraw/zinc/81/68/05/256816805.db2.gz ZAEBOXYCECUXFD-KKUMJFAQSA-N 2 2 292.427 1.209 40 0 CDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(CC2CCOCC2)C1 ZINC000096059189 282128833 /nfs/dbraw/zinc/12/88/33/282128833.db2.gz OVWLKNHCPWJCNN-HNNXBMFYSA-N 2 2 292.427 1.303 40 0 CDABLP C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156571590 188269786 /nfs/dbraw/zinc/26/97/86/188269786.db2.gz HDCYVZHEHHPOQK-KBMXLJTQSA-N 2 2 298.390 1.993 40 0 CDABLP C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156571590 188269788 /nfs/dbraw/zinc/26/97/88/188269788.db2.gz HDCYVZHEHHPOQK-KBMXLJTQSA-N 2 2 298.390 1.993 40 0 CDABLP COc1cccc(-c2nc(N3CC[NH2+]CC3)cc(C)[nH+]2)c1 ZINC000058047129 357375607 /nfs/dbraw/zinc/37/56/07/357375607.db2.gz NYTQYOHZKWKMDD-UHFFFAOYSA-N 2 2 284.363 1.870 40 0 CDABLP O=C(Nc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[NH2+]C1 ZINC000062113154 357469470 /nfs/dbraw/zinc/46/94/70/357469470.db2.gz ODUBMROUWSSWOY-ZDUSSCGKSA-N 2 2 270.336 1.479 40 0 CDABLP Nc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000237971188 361499764 /nfs/dbraw/zinc/49/97/64/361499764.db2.gz RSAVQMVVDVVWOK-FGWVZKOKSA-N 2 2 260.341 1.523 40 0 CDABLP COc1cc[nH+]c(CN2C[C@@H](C)[NH+](C)[C@H](C)C2)c1OC ZINC000225598612 375206565 /nfs/dbraw/zinc/20/65/65/375206565.db2.gz SVFVMBQTUSDEGE-VXGBXAGGSA-N 2 2 279.384 1.623 40 0 CDABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)[nH+]1 ZINC000257223100 190014349 /nfs/dbraw/zinc/01/43/49/190014349.db2.gz DVWBAMDSSKXOQO-LBPRGKRZSA-N 2 2 259.357 1.831 40 0 CDABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccn(C)n3)C2)[nH+]1 ZINC000257223100 190014350 /nfs/dbraw/zinc/01/43/50/190014350.db2.gz DVWBAMDSSKXOQO-LBPRGKRZSA-N 2 2 259.357 1.831 40 0 CDABLP CSc1ncc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000062717245 392803914 /nfs/dbraw/zinc/80/39/14/392803914.db2.gz RBFVSIUHMMDXMD-UHFFFAOYSA-N 2 2 263.370 1.575 40 0 CDABLP Cn1c2ccccc2[nH+]c1NCCC[NH+]1CCOCC1 ZINC000006166987 170180192 /nfs/dbraw/zinc/18/01/92/170180192.db2.gz QAMVDSFCDYHBAX-UHFFFAOYSA-N 2 2 274.368 1.708 40 0 CDABLP CCn1cc(C[N@@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257263752 190022245 /nfs/dbraw/zinc/02/22/45/190022245.db2.gz LRHGHAMJOYBGAB-ZDUSSCGKSA-N 2 2 259.357 1.924 40 0 CDABLP CCn1cc(C[N@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257263752 190022246 /nfs/dbraw/zinc/02/22/46/190022246.db2.gz LRHGHAMJOYBGAB-ZDUSSCGKSA-N 2 2 259.357 1.924 40 0 CDABLP O[C@H]1CC[N@H+](Cc2ncccc2F)CC[C@@H]1n1cc[nH+]c1 ZINC000257263782 190022535 /nfs/dbraw/zinc/02/25/35/190022535.db2.gz LRKMAQCIPIJRPI-GJZGRUSLSA-N 2 2 290.342 1.615 40 0 CDABLP O[C@H]1CC[N@@H+](Cc2ncccc2F)CC[C@@H]1n1cc[nH+]c1 ZINC000257263782 190022536 /nfs/dbraw/zinc/02/25/36/190022536.db2.gz LRKMAQCIPIJRPI-GJZGRUSLSA-N 2 2 290.342 1.615 40 0 CDABLP CC(C)[N@@H+]1CCOC[C@@]2(C[NH+](CC3CC3)CCO2)C1 ZINC000096049758 390912499 /nfs/dbraw/zinc/91/24/99/390912499.db2.gz DEYWVAAANHORRH-OAHLLOKOSA-N 2 2 268.401 1.208 40 0 CDABLP CC(C)[N@H+]1CCOC[C@@]2(C[NH+](CC3CC3)CCO2)C1 ZINC000096049758 390912500 /nfs/dbraw/zinc/91/25/00/390912500.db2.gz DEYWVAAANHORRH-OAHLLOKOSA-N 2 2 268.401 1.208 40 0 CDABLP CC(C)[NH+]1CCOC[C@@]2(C[N@H+](CC3CC3)CCO2)C1 ZINC000096049758 390912501 /nfs/dbraw/zinc/91/25/01/390912501.db2.gz DEYWVAAANHORRH-OAHLLOKOSA-N 2 2 268.401 1.208 40 0 CDABLP CC(C)[NH+]1CCOC[C@@]2(C[N@@H+](CC3CC3)CCO2)C1 ZINC000096049758 390912503 /nfs/dbraw/zinc/91/25/03/390912503.db2.gz DEYWVAAANHORRH-OAHLLOKOSA-N 2 2 268.401 1.208 40 0 CDABLP CC[NH+](CC)CCC[NH2+]Cc1cnc(NC)nc1 ZINC000062718405 392804385 /nfs/dbraw/zinc/80/43/85/392804385.db2.gz SNRRITJDNASZNJ-UHFFFAOYSA-N 2 2 251.378 1.340 40 0 CDABLP c1ccc(C[N@H+]2CC[NH2+]C[C@H](Cc3cnccn3)C2)cc1 ZINC000072355044 176374735 /nfs/dbraw/zinc/37/47/35/176374735.db2.gz JKIZRIBDSJXEPT-INIZCTEOSA-N 2 2 282.391 1.741 40 0 CDABLP c1ccc(C[N@@H+]2CC[NH2+]C[C@H](Cc3cnccn3)C2)cc1 ZINC000072355044 176374736 /nfs/dbraw/zinc/37/47/36/176374736.db2.gz JKIZRIBDSJXEPT-INIZCTEOSA-N 2 2 282.391 1.741 40 0 CDABLP C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+]CCC[NH+](C)C ZINC000004969377 279018711 /nfs/dbraw/zinc/01/87/11/279018711.db2.gz CNJSCQHPARLYQJ-CYBMUJFWSA-N 2 2 275.396 1.506 40 0 CDABLP C[NH+](C)[C@H](C[NH3+])CC1=C(C[C@@H](C[NH3+])[NH+](C)C)CCC1 ZINC000019365232 356482650 /nfs/dbraw/zinc/48/26/50/356482650.db2.gz KLCGZEXDANGXJY-GJZGRUSLSA-N 4 2 268.449 1.025 40 0 CDABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257204768 190011809 /nfs/dbraw/zinc/01/18/09/190011809.db2.gz AWFDJDAEFWCSMQ-HNNXBMFYSA-N 2 2 286.383 1.598 40 0 CDABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257204768 190011810 /nfs/dbraw/zinc/01/18/10/190011810.db2.gz AWFDJDAEFWCSMQ-HNNXBMFYSA-N 2 2 286.383 1.598 40 0 CDABLP CCOCC[N@@H+]1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257264572 190022867 /nfs/dbraw/zinc/02/28/67/190022867.db2.gz LVBLQWWWXMEIJB-INIZCTEOSA-N 2 2 293.411 1.866 40 0 CDABLP CCOCC[N@H+]1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257264572 190022868 /nfs/dbraw/zinc/02/28/68/190022868.db2.gz LVBLQWWWXMEIJB-INIZCTEOSA-N 2 2 293.411 1.866 40 0 CDABLP CCc1[nH]c(C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)c(C)[nH+]1 ZINC000257268100 190024152 /nfs/dbraw/zinc/02/41/52/190024152.db2.gz MKEXPVDRQPMAKI-ZFWWWQNUSA-N 2 2 279.384 1.396 40 0 CDABLP CCc1[nH]c(C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)c(C)[nH+]1 ZINC000257268100 190024153 /nfs/dbraw/zinc/02/41/53/190024153.db2.gz MKEXPVDRQPMAKI-ZFWWWQNUSA-N 2 2 279.384 1.396 40 0 CDABLP C[NH+](C)CC(C[NH+](C)C)C(=O)c1ccc(O)cc1 ZINC000001580571 390139045 /nfs/dbraw/zinc/13/90/45/390139045.db2.gz VOSMPDUOMWFRTG-UHFFFAOYSA-N 2 2 250.342 1.314 40 0 CDABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)c[nH+]1 ZINC000072355618 176375210 /nfs/dbraw/zinc/37/52/10/176375210.db2.gz NSEAICKWZIWNCP-HNNXBMFYSA-N 2 2 299.378 1.978 40 0 CDABLP c1cn(-c2cncc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)c[nH+]1 ZINC000072355618 176375213 /nfs/dbraw/zinc/37/52/13/176375213.db2.gz NSEAICKWZIWNCP-HNNXBMFYSA-N 2 2 299.378 1.978 40 0 CDABLP C[N@@H+]1CCC[C@@](O)(C[NH+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087386 423938902 /nfs/dbraw/zinc/93/89/02/423938902.db2.gz LNEZLZQNIHGLNV-SFHVURJKSA-N 2 2 299.418 1.983 40 0 CDABLP C[N@H+]1CCC[C@@](O)(C[NH+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087386 423938918 /nfs/dbraw/zinc/93/89/18/423938918.db2.gz LNEZLZQNIHGLNV-SFHVURJKSA-N 2 2 299.418 1.983 40 0 CDABLP C[NH+]1CCC[C@@](O)(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087386 423938935 /nfs/dbraw/zinc/93/89/35/423938935.db2.gz LNEZLZQNIHGLNV-SFHVURJKSA-N 2 2 299.418 1.983 40 0 CDABLP C[NH+]1CCC[C@@](O)(C[N@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087386 423938943 /nfs/dbraw/zinc/93/89/43/423938943.db2.gz LNEZLZQNIHGLNV-SFHVURJKSA-N 2 2 299.418 1.983 40 0 CDABLP CNc1cc([C@H]2CCCN2C(=O)C2([NH3+])CCCC2)cc[nH+]1 ZINC000585181498 342232741 /nfs/dbraw/zinc/23/27/41/342232741.db2.gz QRQSJLOATIAWRX-CYBMUJFWSA-N 2 2 288.395 1.480 40 0 CDABLP COc1ccc(C[N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@H](O)C2)cc1 ZINC000036739939 356879458 /nfs/dbraw/zinc/87/94/58/356879458.db2.gz BYDBDGYTQMLDIE-IAGOWNOFSA-N 2 2 290.407 1.726 40 0 CDABLP COc1ccc(C[N@H+]2CC[C@@H]([NH+]3CCCC3)[C@H](O)C2)cc1 ZINC000036739939 356879460 /nfs/dbraw/zinc/87/94/60/356879460.db2.gz BYDBDGYTQMLDIE-IAGOWNOFSA-N 2 2 290.407 1.726 40 0 CDABLP CNc1cc([C@@H]2CCCN(C(=O)C[NH2+]C)C2)cc[nH+]1 ZINC000257220315 190014870 /nfs/dbraw/zinc/01/48/70/190014870.db2.gz DKJBAQSUJGVBSY-GFCCVEGCSA-N 2 2 262.357 1.049 40 0 CDABLP CCc1[nH+]ccn1CC(=O)N1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257336141 190036085 /nfs/dbraw/zinc/03/60/85/190036085.db2.gz YNJGMTWQFKMLFM-LBPRGKRZSA-N 2 2 287.367 1.493 40 0 CDABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@@H+](CC2CC2)C3)c[nH+]1 ZINC000096052079 185074567 /nfs/dbraw/zinc/07/45/67/185074567.db2.gz PKAXKJCIPPEIKT-HOTGVXAUSA-N 2 2 291.395 1.401 40 0 CDABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@H+](CC2CC2)C3)c[nH+]1 ZINC000096052079 185074568 /nfs/dbraw/zinc/07/45/68/185074568.db2.gz PKAXKJCIPPEIKT-HOTGVXAUSA-N 2 2 291.395 1.401 40 0 CDABLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110628 185101066 /nfs/dbraw/zinc/10/10/66/185101066.db2.gz JNNFXHYLKZATFK-CALCHBBNSA-N 2 2 297.406 1.379 40 0 CDABLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110628 185101067 /nfs/dbraw/zinc/10/10/67/185101067.db2.gz JNNFXHYLKZATFK-CALCHBBNSA-N 2 2 297.406 1.379 40 0 CDABLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110628 185101068 /nfs/dbraw/zinc/10/10/68/185101068.db2.gz JNNFXHYLKZATFK-CALCHBBNSA-N 2 2 297.406 1.379 40 0 CDABLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110628 185101069 /nfs/dbraw/zinc/10/10/69/185101069.db2.gz JNNFXHYLKZATFK-CALCHBBNSA-N 2 2 297.406 1.379 40 0 CDABLP c1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)nc1 ZINC000019401875 356484182 /nfs/dbraw/zinc/48/41/82/356484182.db2.gz AMEUGNSHBJKPDF-INIZCTEOSA-N 2 2 295.390 1.854 40 0 CDABLP c1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)nc1 ZINC000019401875 356484187 /nfs/dbraw/zinc/48/41/87/356484187.db2.gz AMEUGNSHBJKPDF-INIZCTEOSA-N 2 2 295.390 1.854 40 0 CDABLP Cc1ccc[nH+]c1N1CC2(C1)CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096202665 358719064 /nfs/dbraw/zinc/71/90/64/358719064.db2.gz FFGZXSBCQOEMAS-UHFFFAOYSA-N 2 2 297.406 1.836 40 0 CDABLP Cc1ccc[nH+]c1N1CC2(C1)CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096202665 358719068 /nfs/dbraw/zinc/71/90/68/358719068.db2.gz FFGZXSBCQOEMAS-UHFFFAOYSA-N 2 2 297.406 1.836 40 0 CDABLP CNc1cc([C@H]2CCCN(C(=O)C[NH2+]C)C2)cc[nH+]1 ZINC000257220316 190014967 /nfs/dbraw/zinc/01/49/67/190014967.db2.gz DKJBAQSUJGVBSY-LBPRGKRZSA-N 2 2 262.357 1.049 40 0 CDABLP C[NH+]1CCC([N@@H+]2CCOC[C@H](Cc3ccncn3)C2)CC1 ZINC000257257526 190021606 /nfs/dbraw/zinc/02/16/06/190021606.db2.gz KQAMFQCPORNISQ-CQSZACIVSA-N 2 2 290.411 1.062 40 0 CDABLP C[NH+]1CCC([N@H+]2CCOC[C@H](Cc3ccncn3)C2)CC1 ZINC000257257526 190021607 /nfs/dbraw/zinc/02/16/07/190021607.db2.gz KQAMFQCPORNISQ-CQSZACIVSA-N 2 2 290.411 1.062 40 0 CDABLP CC(C)Nc1ncc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000062718445 391575707 /nfs/dbraw/zinc/57/57/07/391575707.db2.gz ZAZHUHZOAPZCCM-UHFFFAOYSA-N 2 2 251.378 1.338 40 0 CDABLP Cc1[nH+]ccn1CCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000096485959 230381372 /nfs/dbraw/zinc/38/13/72/230381372.db2.gz HPHQQAUWKWEEQC-VNBZBWLYSA-N 2 2 269.414 1.423 40 0 CDABLP Cc1[nH+]ccn1CCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000096485959 230381373 /nfs/dbraw/zinc/38/13/73/230381373.db2.gz HPHQQAUWKWEEQC-VNBZBWLYSA-N 2 2 269.414 1.423 40 0 CDABLP C[NH2+]C[C@H]([NH2+]C)c1cc(OC)c(OC)c(OC)c1 ZINC000019366292 356483064 /nfs/dbraw/zinc/48/30/64/356483064.db2.gz VJQMNTDXOIDVGX-JTQLQIEISA-N 2 2 254.330 1.192 40 0 CDABLP [NH3+]CC[N@@H+]1CCC[C@H]1CNC(=O)OCc1ccccc1 ZINC000079411357 356993635 /nfs/dbraw/zinc/99/36/35/356993635.db2.gz XVMFEABJNQHHHT-AWEZNQCLSA-N 2 2 277.368 1.336 40 0 CDABLP [NH3+]CC[N@H+]1CCC[C@H]1CNC(=O)OCc1ccccc1 ZINC000079411357 356993637 /nfs/dbraw/zinc/99/36/37/356993637.db2.gz XVMFEABJNQHHHT-AWEZNQCLSA-N 2 2 277.368 1.336 40 0 CDABLP C[NH2+][C@@H](C[NH3+])c1cc(Br)ccc1OC ZINC000050269944 373067211 /nfs/dbraw/zinc/06/72/11/373067211.db2.gz JELDZDUBCPGZNM-VIFPVBQESA-N 2 2 259.147 1.677 40 0 CDABLP Cc1[nH+]ccn1Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000038858534 174158145 /nfs/dbraw/zinc/15/81/45/174158145.db2.gz RLPXXIGYEGRISG-UHFFFAOYSA-N 2 2 298.390 1.627 40 0 CDABLP c1c[nH+]c(C2CC[NH+](Cc3cnc4n3CCC4)CC2)[nH]1 ZINC000667564393 483333773 /nfs/dbraw/zinc/33/37/73/483333773.db2.gz KHISSBPFOZKLOW-UHFFFAOYSA-N 2 2 271.368 1.932 40 0 CDABLP Cc1ccsc1C[NH+]1C[C@@H]2C[N@H+](C)CCO[C@@H]2C1 ZINC000096107937 185099314 /nfs/dbraw/zinc/09/93/14/185099314.db2.gz DAOYOOKIJCIVBU-QWHCGFSZSA-N 2 2 266.410 1.819 40 0 CDABLP Cc1ccsc1C[NH+]1C[C@@H]2C[N@@H+](C)CCO[C@@H]2C1 ZINC000096107937 185099315 /nfs/dbraw/zinc/09/93/15/185099315.db2.gz DAOYOOKIJCIVBU-QWHCGFSZSA-N 2 2 266.410 1.819 40 0 CDABLP Cc1ccsc1C[N@@H+]1C[C@@H]2C[NH+](C)CCO[C@@H]2C1 ZINC000096107937 185099317 /nfs/dbraw/zinc/09/93/17/185099317.db2.gz DAOYOOKIJCIVBU-QWHCGFSZSA-N 2 2 266.410 1.819 40 0 CDABLP Cc1ccsc1C[N@H+]1C[C@@H]2C[NH+](C)CCO[C@@H]2C1 ZINC000096107937 185099319 /nfs/dbraw/zinc/09/93/19/185099319.db2.gz DAOYOOKIJCIVBU-QWHCGFSZSA-N 2 2 266.410 1.819 40 0 CDABLP CCOCC[N@@H+]1CCO[C@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257297715 190029788 /nfs/dbraw/zinc/02/97/88/190029788.db2.gz RIOKBKNJTXJNDI-HNNXBMFYSA-N 2 2 279.384 1.842 40 0 CDABLP CCOCC[N@H+]1CCO[C@H](c2cc(NC)cc(C)[nH+]2)C1 ZINC000257297715 190029789 /nfs/dbraw/zinc/02/97/89/190029789.db2.gz RIOKBKNJTXJNDI-HNNXBMFYSA-N 2 2 279.384 1.842 40 0 CDABLP Cc1cccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)[nH+]1 ZINC000157534205 281226655 /nfs/dbraw/zinc/22/66/55/281226655.db2.gz HCMUEQPGEAZINA-HNNXBMFYSA-N 2 2 275.396 1.939 40 0 CDABLP Cn1cc[nH+]c1CN1CC[C@@]2(CC[N@@H+]2CC2CC2)C1 ZINC000096075980 185090244 /nfs/dbraw/zinc/09/02/44/185090244.db2.gz FEUCKHMQSMPEEL-OAHLLOKOSA-N 2 2 260.385 1.480 40 0 CDABLP Cn1cc[nH+]c1CN1CC[C@@]2(CC[N@H+]2CC2CC2)C1 ZINC000096075980 185090246 /nfs/dbraw/zinc/09/02/46/185090246.db2.gz FEUCKHMQSMPEEL-OAHLLOKOSA-N 2 2 260.385 1.480 40 0 CDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccoc2)C1 ZINC000096059172 282141580 /nfs/dbraw/zinc/14/15/80/282141580.db2.gz JQBXVHLHZTVIFK-CQSZACIVSA-N 2 2 274.368 1.670 40 0 CDABLP c1cc2n(n1)C[C@H](C[NH+]1CCCC1)C[N@@H+](CC1CC1)C2 ZINC000253604088 362440911 /nfs/dbraw/zinc/44/09/11/362440911.db2.gz SWZIHYYWPLGKQV-OAHLLOKOSA-N 2 2 274.412 1.821 40 0 CDABLP c1cc2n(n1)C[C@H](C[NH+]1CCCC1)C[N@H+](CC1CC1)C2 ZINC000253604088 362440917 /nfs/dbraw/zinc/44/09/17/362440917.db2.gz SWZIHYYWPLGKQV-OAHLLOKOSA-N 2 2 274.412 1.821 40 0 CDABLP C[NH2+]CC1(O)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000257226015 362579743 /nfs/dbraw/zinc/57/97/43/362579743.db2.gz FIUCFLLLYPIKIS-UHFFFAOYSA-N 2 2 272.352 1.181 40 0 CDABLP COC(C[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1)OC ZINC000225450885 374427788 /nfs/dbraw/zinc/42/77/88/374427788.db2.gz VPPVVQFHXYOCGE-LBPRGKRZSA-N 2 2 256.390 1.554 40 0 CDABLP COC(C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1)OC ZINC000225450885 374427794 /nfs/dbraw/zinc/42/77/94/374427794.db2.gz VPPVVQFHXYOCGE-LBPRGKRZSA-N 2 2 256.390 1.554 40 0 CDABLP [NH3+][C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257314398 190032528 /nfs/dbraw/zinc/03/25/28/190032528.db2.gz UWTQDORFOFAFHP-WCVJEAGWSA-N 2 2 294.370 1.520 40 0 CDABLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378780 176385715 /nfs/dbraw/zinc/38/57/15/176385715.db2.gz NNUXZZGQPKKJNC-CQSZACIVSA-N 2 2 299.378 1.492 40 0 CDABLP CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378780 176385716 /nfs/dbraw/zinc/38/57/16/176385716.db2.gz NNUXZZGQPKKJNC-CQSZACIVSA-N 2 2 299.378 1.492 40 0 CDABLP C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096107932 185100207 /nfs/dbraw/zinc/10/02/07/185100207.db2.gz SLVQRFWGDVWOOP-DZGCQCFKSA-N 2 2 264.344 1.588 40 0 CDABLP C[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096107932 185100209 /nfs/dbraw/zinc/10/02/09/185100209.db2.gz SLVQRFWGDVWOOP-DZGCQCFKSA-N 2 2 264.344 1.588 40 0 CDABLP C[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096107932 185100211 /nfs/dbraw/zinc/10/02/11/185100211.db2.gz SLVQRFWGDVWOOP-DZGCQCFKSA-N 2 2 264.344 1.588 40 0 CDABLP C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096107932 185100212 /nfs/dbraw/zinc/10/02/12/185100212.db2.gz SLVQRFWGDVWOOP-DZGCQCFKSA-N 2 2 264.344 1.588 40 0 CDABLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCC(F)(F)F ZINC000080959369 362204457 /nfs/dbraw/zinc/20/44/57/362204457.db2.gz KMMZHCKCZGYCBH-SECBINFHSA-N 2 2 290.289 1.268 40 0 CDABLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCC(F)(F)F ZINC000080959369 362204460 /nfs/dbraw/zinc/20/44/60/362204460.db2.gz KMMZHCKCZGYCBH-SECBINFHSA-N 2 2 290.289 1.268 40 0 CDABLP Fc1cccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196263 186162623 /nfs/dbraw/zinc/16/26/23/186162623.db2.gz SDGGTUGKJUYFFV-HLLBOEOZSA-N 2 2 290.382 1.978 40 0 CDABLP Fc1cccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196263 186162624 /nfs/dbraw/zinc/16/26/24/186162624.db2.gz SDGGTUGKJUYFFV-HLLBOEOZSA-N 2 2 290.382 1.978 40 0 CDABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196263 186162625 /nfs/dbraw/zinc/16/26/25/186162625.db2.gz SDGGTUGKJUYFFV-HLLBOEOZSA-N 2 2 290.382 1.978 40 0 CDABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CCOC4)C[C@@H]3C2)c1 ZINC000107196263 186162626 /nfs/dbraw/zinc/16/26/26/186162626.db2.gz SDGGTUGKJUYFFV-HLLBOEOZSA-N 2 2 290.382 1.978 40 0 CDABLP c1nn(C2CC[NH2+]CC2)c2nc[nH+]c(N3CCCC3)c12 ZINC000228936384 541984242 /nfs/dbraw/zinc/98/42/42/541984242.db2.gz IPFKJMFNKRTOGG-UHFFFAOYSA-N 2 2 272.356 1.351 40 0 CDABLP Cc1c[nH]c([C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000257234150 190016906 /nfs/dbraw/zinc/01/69/06/190016906.db2.gz GSJZNCOUPSKECB-GFCCVEGCSA-N 2 2 262.357 1.130 40 0 CDABLP Cc1c[nH]c([C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000257234150 190016907 /nfs/dbraw/zinc/01/69/07/190016907.db2.gz GSJZNCOUPSKECB-GFCCVEGCSA-N 2 2 262.357 1.130 40 0 CDABLP Cc1ccc(C[N@@H+](C)C[C@@]2(O)CCC[NH+](C)C2)o1 ZINC000046087367 175391863 /nfs/dbraw/zinc/39/18/63/175391863.db2.gz CXHZLDMQJPLJRK-CQSZACIVSA-N 2 2 252.358 1.477 40 0 CDABLP Cc1ccc(C[N@H+](C)C[C@@]2(O)CCC[NH+](C)C2)o1 ZINC000046087367 175391864 /nfs/dbraw/zinc/39/18/64/175391864.db2.gz CXHZLDMQJPLJRK-CQSZACIVSA-N 2 2 252.358 1.477 40 0 CDABLP Cc1ccc(C[NH+](C)C[C@@]2(O)CCC[N@H+](C)C2)o1 ZINC000046087367 175391866 /nfs/dbraw/zinc/39/18/66/175391866.db2.gz CXHZLDMQJPLJRK-CQSZACIVSA-N 2 2 252.358 1.477 40 0 CDABLP Cc1ccc(C[NH+](C)C[C@@]2(O)CCC[N@@H+](C)C2)o1 ZINC000046087367 175391867 /nfs/dbraw/zinc/39/18/67/175391867.db2.gz CXHZLDMQJPLJRK-CQSZACIVSA-N 2 2 252.358 1.477 40 0 CDABLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+]CCC[NH+](C)C ZINC000026439530 277703669 /nfs/dbraw/zinc/70/36/69/277703669.db2.gz UHADFEGDTOFTLP-CHWSQXEVSA-N 2 2 255.406 1.317 40 0 CDABLP O=C(CCn1cc[nH+]c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257287121 295488848 /nfs/dbraw/zinc/48/88/48/295488848.db2.gz POPQEAJKAYZQOA-HNNXBMFYSA-N 2 2 284.363 1.446 40 0 CDABLP Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)[nH+]1 ZINC000257288282 190027156 /nfs/dbraw/zinc/02/71/56/190027156.db2.gz PTPGDWYNDWIHAE-ZDUSSCGKSA-N 2 2 287.367 1.331 40 0 CDABLP COCCC[NH2+][C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC000036739950 356879749 /nfs/dbraw/zinc/87/97/49/356879749.db2.gz BBIRAHZIZGASKS-HZPDHXFCSA-N 2 2 296.386 1.387 40 0 CDABLP COCCC[NH2+][C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1O ZINC000036739950 356879751 /nfs/dbraw/zinc/87/97/51/356879751.db2.gz BBIRAHZIZGASKS-HZPDHXFCSA-N 2 2 296.386 1.387 40 0 CDABLP Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[N@@H+](C)CC1 ZINC000257236368 190018156 /nfs/dbraw/zinc/01/81/56/190018156.db2.gz HBVISASTDWMVDS-UHFFFAOYSA-N 2 2 286.379 1.349 40 0 CDABLP Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[N@H+](C)CC1 ZINC000257236368 190018157 /nfs/dbraw/zinc/01/81/57/190018157.db2.gz HBVISASTDWMVDS-UHFFFAOYSA-N 2 2 286.379 1.349 40 0 CDABLP Cc1c[nH]c([C@@H]2CC[N@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257276972 190025705 /nfs/dbraw/zinc/02/57/05/190025705.db2.gz NVXSEFOUSOWRAO-GFCCVEGCSA-N 2 2 265.357 1.049 40 0 CDABLP Cc1c[nH]c([C@@H]2CC[N@@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257276972 190025706 /nfs/dbraw/zinc/02/57/06/190025706.db2.gz NVXSEFOUSOWRAO-GFCCVEGCSA-N 2 2 265.357 1.049 40 0 CDABLP Cc1[nH+]c(N2CC[NH+](C(C)C)CC2)ccc1CCO ZINC000072224765 390625158 /nfs/dbraw/zinc/62/51/58/390625158.db2.gz AOCQAJUZSRPTOV-UHFFFAOYSA-N 2 2 263.385 1.455 40 0 CDABLP [NH3+]CC[N@@H+]1CC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411370 356993980 /nfs/dbraw/zinc/99/39/80/356993980.db2.gz NMYCCDRRGOHSMV-AWEZNQCLSA-N 2 2 277.368 1.193 40 0 CDABLP [NH3+]CC[N@H+]1CC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411370 356993986 /nfs/dbraw/zinc/99/39/86/356993986.db2.gz NMYCCDRRGOHSMV-AWEZNQCLSA-N 2 2 277.368 1.193 40 0 CDABLP NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(-n2cc[nH+]c2)nc1 ZINC000257300754 190029695 /nfs/dbraw/zinc/02/96/95/190029695.db2.gz RVOTYZZEVZHBBA-ZDUSSCGKSA-N 2 2 285.351 1.280 40 0 CDABLP Cn1cc(C[N@@H+]2CC[C@H](c3ncc(C[NH+](C)C)[nH]3)C2)cn1 ZINC000257302125 190030040 /nfs/dbraw/zinc/03/00/40/190030040.db2.gz SBQFOSIZFBIEFK-ZDUSSCGKSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cc(C[N@H+]2CC[C@H](c3ncc(C[NH+](C)C)[nH]3)C2)cn1 ZINC000257302125 190030041 /nfs/dbraw/zinc/03/00/41/190030041.db2.gz SBQFOSIZFBIEFK-ZDUSSCGKSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cc(C[N@@H+]2CC[C@H](c3nc(C[NH+](C)C)c[nH]3)C2)cn1 ZINC000257302125 190030042 /nfs/dbraw/zinc/03/00/42/190030042.db2.gz SBQFOSIZFBIEFK-ZDUSSCGKSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cc(C[N@H+]2CC[C@H](c3nc(C[NH+](C)C)c[nH]3)C2)cn1 ZINC000257302125 190030043 /nfs/dbraw/zinc/03/00/43/190030043.db2.gz SBQFOSIZFBIEFK-ZDUSSCGKSA-N 2 2 288.399 1.194 40 0 CDABLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCC(F)(F)F ZINC000080959371 362204063 /nfs/dbraw/zinc/20/40/63/362204063.db2.gz KMMZHCKCZGYCBH-VIFPVBQESA-N 2 2 290.289 1.268 40 0 CDABLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCC(F)(F)F ZINC000080959371 362204072 /nfs/dbraw/zinc/20/40/72/362204072.db2.gz KMMZHCKCZGYCBH-VIFPVBQESA-N 2 2 290.289 1.268 40 0 CDABLP C[N@@H+]1C[C@@H]2COCCN2C2(C[NH+](C3CCCCC3)C2)C1 ZINC000604381954 344886421 /nfs/dbraw/zinc/88/64/21/344886421.db2.gz WNURLHIYAKMOGP-OAHLLOKOSA-N 2 2 279.428 1.020 40 0 biogenic,in-vitro CDABLP C[N@H+]1C[C@@H]2COCCN2C2(C[NH+](C3CCCCC3)C2)C1 ZINC000604381954 344886423 /nfs/dbraw/zinc/88/64/23/344886423.db2.gz WNURLHIYAKMOGP-OAHLLOKOSA-N 2 2 279.428 1.020 40 0 biogenic,in-vitro CDABLP COc1ccc(C(=O)C(C[NH+](C)C)C[NH+](C)C)c(OC)c1 ZINC000001589495 355940794 /nfs/dbraw/zinc/94/07/94/355940794.db2.gz UBJTXZUQCXVLSS-UHFFFAOYSA-N 2 2 294.395 1.626 40 0 CDABLP CC(C)Cn1cc(C[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000347069941 359142690 /nfs/dbraw/zinc/14/26/90/359142690.db2.gz OZFKENIYQUYRFI-UHFFFAOYSA-N 2 2 250.390 1.723 40 0 CDABLP CC(C)Cn1cc(C[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC000347069941 359142696 /nfs/dbraw/zinc/14/26/96/359142696.db2.gz OZFKENIYQUYRFI-UHFFFAOYSA-N 2 2 250.390 1.723 40 0 CDABLP C[NH2+][C@H]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000333313850 205210969 /nfs/dbraw/zinc/21/09/69/205210969.db2.gz MBIQSPORJDSIQV-NSHDSACASA-N 2 2 259.313 1.160 40 0 CDABLP C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1cc[nH+]c1)C2 ZINC000257280405 190025851 /nfs/dbraw/zinc/02/58/51/190025851.db2.gz OKRQJCYNVPMWDP-AYDFFVQHSA-N 2 2 288.395 1.357 40 0 CDABLP C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1cc[nH+]c1)C2 ZINC000257280405 190025852 /nfs/dbraw/zinc/02/58/52/190025852.db2.gz OKRQJCYNVPMWDP-AYDFFVQHSA-N 2 2 288.395 1.357 40 0 CDABLP O=C(CCCn1cc[nH+]c1)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257273642 190024505 /nfs/dbraw/zinc/02/45/05/190024505.db2.gz NHNOOZHWIJZGMT-CABCVRRESA-N 2 2 290.411 1.796 40 0 CDABLP C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)Cn1cc[nH+]c1 ZINC000257316913 190032949 /nfs/dbraw/zinc/03/29/49/190032949.db2.gz VHNVZZRXOVXIDO-KNCOVGOOSA-N 2 2 288.395 1.405 40 0 CDABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2CC(N)=O)[nH+]1 ZINC000257278546 282297871 /nfs/dbraw/zinc/29/78/71/282297871.db2.gz OCRCITCQFRSYEF-AWEZNQCLSA-N 2 2 290.411 1.420 40 0 CDABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2CC(N)=O)[nH+]1 ZINC000257278546 282297874 /nfs/dbraw/zinc/29/78/74/282297874.db2.gz OCRCITCQFRSYEF-AWEZNQCLSA-N 2 2 290.411 1.420 40 0 CDABLP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000079408328 356992327 /nfs/dbraw/zinc/99/23/27/356992327.db2.gz QRXBZCGJELHJRT-LLVKDONJSA-N 2 2 257.378 1.182 40 0 CDABLP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000079408328 356992332 /nfs/dbraw/zinc/99/23/32/356992332.db2.gz QRXBZCGJELHJRT-LLVKDONJSA-N 2 2 257.378 1.182 40 0 CDABLP NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CC[NH2+]CC2)cc1 ZINC000306137527 283369281 /nfs/dbraw/zinc/36/92/81/283369281.db2.gz QZDHWKDOFJAKSY-UHFFFAOYSA-N 2 2 296.374 1.674 40 0 CDABLP Cc1[nH+]cc(C[N@H+](CCO)Cc2cccs2)n1C ZINC000013997509 366505728 /nfs/dbraw/zinc/50/57/28/366505728.db2.gz FJAPOIDHQUUUJJ-UHFFFAOYSA-N 2 2 265.382 1.785 40 0 CDABLP Cc1[nH+]cc(C[N@@H+](CCO)Cc2cccs2)n1C ZINC000013997509 366505735 /nfs/dbraw/zinc/50/57/35/366505735.db2.gz FJAPOIDHQUUUJJ-UHFFFAOYSA-N 2 2 265.382 1.785 40 0 CDABLP Cc1c[nH]c([C@@H]2CCCN(C(=O)C3CC[NH2+]CC3)C2)[nH+]1 ZINC000257267498 190023406 /nfs/dbraw/zinc/02/34/06/190023406.db2.gz MHNQJLPNSVGBHJ-CYBMUJFWSA-N 2 2 276.384 1.424 40 0 CDABLP [NH3+]CCn1ncc2c1nc[nH+]c2NCc1cccs1 ZINC000096524254 390538639 /nfs/dbraw/zinc/53/86/39/390538639.db2.gz MACVSIBPBNPGHV-UHFFFAOYSA-N 2 2 274.353 1.459 40 0 CDABLP C[NH2+]C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000257256719 277286655 /nfs/dbraw/zinc/28/66/55/277286655.db2.gz KMOIMCMLWORVHU-OAHLLOKOSA-N 2 2 272.352 1.181 40 0 CDABLP O=C(C1CCC1)N1Cc2c[nH+]cn2[C@H](C[NH+]2CCCC2)C1 ZINC000247832334 362133436 /nfs/dbraw/zinc/13/34/36/362133436.db2.gz LMTUYZOUNOHEGI-OAHLLOKOSA-N 2 2 288.395 1.662 40 0 CDABLP [NH3+]CC[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000079411430 356994204 /nfs/dbraw/zinc/99/42/04/356994204.db2.gz KYUSYZBGFIRAST-UHFFFAOYSA-N 2 2 291.395 1.584 40 0 CDABLP c1cnn(Cc2c[nH+]c3n2CCN(c2cccc[nH+]2)CC3)c1 ZINC000096196945 358715900 /nfs/dbraw/zinc/71/59/00/358715900.db2.gz PAOLNZBOYFFQDV-UHFFFAOYSA-N 2 2 294.362 1.586 40 0 CDABLP CC(C)n1nc(C[NH+]2CCCC2)c2c1C[N@H+](CCO)CC2 ZINC000096255958 358728934 /nfs/dbraw/zinc/72/89/34/358728934.db2.gz RFXITCBAZGZKPZ-UHFFFAOYSA-N 2 2 292.427 1.410 40 0 CDABLP CC(C)n1nc(C[NH+]2CCCC2)c2c1C[N@@H+](CCO)CC2 ZINC000096255958 358728936 /nfs/dbraw/zinc/72/89/36/358728936.db2.gz RFXITCBAZGZKPZ-UHFFFAOYSA-N 2 2 292.427 1.410 40 0 CDABLP C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000331618076 204016297 /nfs/dbraw/zinc/01/62/97/204016297.db2.gz DXPAHJBLJYPFBN-CYBMUJFWSA-N 2 2 298.390 1.815 40 0 CDABLP C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000331618076 204016300 /nfs/dbraw/zinc/01/63/00/204016300.db2.gz DXPAHJBLJYPFBN-CYBMUJFWSA-N 2 2 298.390 1.815 40 0 CDABLP CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080599467 374971749 /nfs/dbraw/zinc/97/17/49/374971749.db2.gz DGYFWVYDCKLMIP-UHFFFAOYSA-N 2 2 282.432 1.256 40 0 CDABLP Cc1nn(C)c(C)c1CC[N@H+](C)C[C@@H]1CCC[NH2+]1 ZINC000096523694 390537388 /nfs/dbraw/zinc/53/73/88/390537388.db2.gz IJWPRTBGGVVCFQ-ZDUSSCGKSA-N 2 2 250.390 1.263 40 0 CDABLP Cc1nn(C)c(C)c1CC[N@@H+](C)C[C@@H]1CCC[NH2+]1 ZINC000096523694 390537392 /nfs/dbraw/zinc/53/73/92/390537392.db2.gz IJWPRTBGGVVCFQ-ZDUSSCGKSA-N 2 2 250.390 1.263 40 0 CDABLP CC(C)[N@H+](C)Cc1nnc2n1CC[NH+](CC1CC1)CC2 ZINC000096058960 390912448 /nfs/dbraw/zinc/91/24/48/390912448.db2.gz HKNZOECKHOEOSN-UHFFFAOYSA-N 2 2 277.416 1.386 40 0 CDABLP CC(C)[N@@H+](C)Cc1nnc2n1CC[NH+](CC1CC1)CC2 ZINC000096058960 390912449 /nfs/dbraw/zinc/91/24/49/390912449.db2.gz HKNZOECKHOEOSN-UHFFFAOYSA-N 2 2 277.416 1.386 40 0 CDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@@H+](CC1CC1)CC2 ZINC000096058960 390912450 /nfs/dbraw/zinc/91/24/50/390912450.db2.gz HKNZOECKHOEOSN-UHFFFAOYSA-N 2 2 277.416 1.386 40 0 CDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@H+](CC1CC1)CC2 ZINC000096058960 390912452 /nfs/dbraw/zinc/91/24/52/390912452.db2.gz HKNZOECKHOEOSN-UHFFFAOYSA-N 2 2 277.416 1.386 40 0 CDABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072355654 176374785 /nfs/dbraw/zinc/37/47/85/176374785.db2.gz JQXDLTRFOTWMEQ-ZDUSSCGKSA-N 2 2 285.351 1.198 40 0 CDABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072355654 176374786 /nfs/dbraw/zinc/37/47/86/176374786.db2.gz JQXDLTRFOTWMEQ-ZDUSSCGKSA-N 2 2 285.351 1.198 40 0 CDABLP CC[N@H+](CC[NH3+])[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391775 356988466 /nfs/dbraw/zinc/98/84/66/356988466.db2.gz QWMOZIRGKNUUDS-HNNXBMFYSA-N 2 2 291.395 1.678 40 0 CDABLP CC[N@@H+](CC[NH3+])[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391775 356988470 /nfs/dbraw/zinc/98/84/70/356988470.db2.gz QWMOZIRGKNUUDS-HNNXBMFYSA-N 2 2 291.395 1.678 40 0 CDABLP C[NH2+][C@H](C[NH3+])c1cc(Br)ccc1OC ZINC000050269945 373066883 /nfs/dbraw/zinc/06/68/83/373066883.db2.gz JELDZDUBCPGZNM-SECBINFHSA-N 2 2 259.147 1.677 40 0 CDABLP Cc1[nH+]cc(-c2cc(C3CC[NH2+]CC3)nc(C)n2)n1C ZINC000257220785 190014890 /nfs/dbraw/zinc/01/48/90/190014890.db2.gz DMDNFDHTFGOGJK-UHFFFAOYSA-N 2 2 271.368 1.961 40 0 CDABLP CNc1cc(C)[nH+]c([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)c1 ZINC000257246188 190019308 /nfs/dbraw/zinc/01/93/08/190019308.db2.gz ISYHNFBDVLCQNU-OAHLLOKOSA-N 2 2 287.367 1.728 40 0 CDABLP COc1ccc(OC)c(C[NH+]2CCC([NH3+])CC2)c1 ZINC000015423795 356415878 /nfs/dbraw/zinc/41/58/78/356415878.db2.gz PCQMRZNASNSDHK-UHFFFAOYSA-N 2 2 250.342 1.627 40 0 CDABLP C[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC000257299165 190029626 /nfs/dbraw/zinc/02/96/26/190029626.db2.gz ROZDFTDOJQTONL-AWEZNQCLSA-N 2 2 256.353 1.898 40 0 CDABLP CC(C)(C)OC(=O)N1CCC[N@H+](Cn2cc[nH+]c2)CC1 ZINC000022115326 390237388 /nfs/dbraw/zinc/23/73/88/390237388.db2.gz QGXQKQDONNSDHE-UHFFFAOYSA-N 2 2 280.372 1.783 40 0 CDABLP CC(C)(C)OC(=O)N1CCC[N@@H+](Cn2cc[nH+]c2)CC1 ZINC000022115326 390237393 /nfs/dbraw/zinc/23/73/93/390237393.db2.gz QGXQKQDONNSDHE-UHFFFAOYSA-N 2 2 280.372 1.783 40 0 CDABLP C[NH2+]C[C@@]1(O)CCN(c2cc(C)[nH+]c3ccncc32)C1 ZINC000257228145 273965572 /nfs/dbraw/zinc/96/55/72/273965572.db2.gz FSNPEFRFNFAHLA-HNNXBMFYSA-N 2 2 272.352 1.099 40 0 CDABLP [NH3+]C1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000096516961 274943885 /nfs/dbraw/zinc/94/38/85/274943885.db2.gz JEFWSFUIQWBGAH-UHFFFAOYSA-N 2 2 258.369 1.770 40 0 CDABLP [NH3+]C1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000043220481 356095560 /nfs/dbraw/zinc/09/55/60/356095560.db2.gz NXFAZCRUVYAXKV-CYBMUJFWSA-N 2 2 254.761 1.797 40 0 CDABLP CCOC[C@@H]1Cn2c[nH+]cc2C[N@H+](CC2CCOCC2)C1 ZINC000096208216 358720591 /nfs/dbraw/zinc/72/05/91/358720591.db2.gz CGIZLXXSJIZWNR-HNNXBMFYSA-N 2 2 293.411 1.778 40 0 CDABLP CCOC[C@@H]1Cn2c[nH+]cc2C[N@@H+](CC2CCOCC2)C1 ZINC000096208216 358720595 /nfs/dbraw/zinc/72/05/95/358720595.db2.gz CGIZLXXSJIZWNR-HNNXBMFYSA-N 2 2 293.411 1.778 40 0 CDABLP C[NH+](C)Cc1cnc([C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000257255487 190020872 /nfs/dbraw/zinc/02/08/72/190020872.db2.gz KHRHORIWANITFK-LLVKDONJSA-N 2 2 274.372 1.184 40 0 CDABLP C[NH+](C)Cc1cnc([C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)[nH]1 ZINC000257255487 190020873 /nfs/dbraw/zinc/02/08/73/190020873.db2.gz KHRHORIWANITFK-LLVKDONJSA-N 2 2 274.372 1.184 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000257255487 190020874 /nfs/dbraw/zinc/02/08/74/190020874.db2.gz KHRHORIWANITFK-LLVKDONJSA-N 2 2 274.372 1.184 40 0 CDABLP C[NH+](C)Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000257255487 190020875 /nfs/dbraw/zinc/02/08/75/190020875.db2.gz KHRHORIWANITFK-LLVKDONJSA-N 2 2 274.372 1.184 40 0 CDABLP Cc1cn(C)c([C@@H]2CCN(C(=O)C[NH+]3CCCCC3)C2)[nH+]1 ZINC000257325874 190034195 /nfs/dbraw/zinc/03/41/95/190034195.db2.gz WUUQKXDGGPBEBF-CQSZACIVSA-N 2 2 290.411 1.530 40 0 CDABLP C[NH+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000038858531 174157903 /nfs/dbraw/zinc/15/79/03/174157903.db2.gz FVUCJFSDJGXXKY-UHFFFAOYSA-N 2 2 284.363 1.319 40 0 CDABLP [NH3+]CC1C[NH+]([C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952189 174176908 /nfs/dbraw/zinc/17/69/08/174176908.db2.gz IMJNDWDQGGGJDF-OAHLLOKOSA-N 2 2 289.379 1.288 40 0 CDABLP C[NH2+]C[C@]1(O)CCN(c2cc(C)[nH+]c3ccncc32)C1 ZINC000257228146 273968731 /nfs/dbraw/zinc/96/87/31/273968731.db2.gz FSNPEFRFNFAHLA-OAHLLOKOSA-N 2 2 272.352 1.099 40 0 CDABLP C[NH2+]C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000257256718 277029674 /nfs/dbraw/zinc/02/96/74/277029674.db2.gz KMOIMCMLWORVHU-HNNXBMFYSA-N 2 2 272.352 1.181 40 0 CDABLP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC000096110640 185101591 /nfs/dbraw/zinc/10/15/91/185101591.db2.gz VYDAPYFRJOMATF-IYBDPMFKSA-N 2 2 297.406 1.379 40 0 CDABLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC000096110640 185101593 /nfs/dbraw/zinc/10/15/93/185101593.db2.gz VYDAPYFRJOMATF-IYBDPMFKSA-N 2 2 297.406 1.379 40 0 CDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC000096110640 185101595 /nfs/dbraw/zinc/10/15/95/185101595.db2.gz VYDAPYFRJOMATF-IYBDPMFKSA-N 2 2 297.406 1.379 40 0 CDABLP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC000096110640 185101597 /nfs/dbraw/zinc/10/15/97/185101597.db2.gz VYDAPYFRJOMATF-IYBDPMFKSA-N 2 2 297.406 1.379 40 0 CDABLP CC(C)CCO[C@H]1COCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000085436030 179062664 /nfs/dbraw/zinc/06/26/64/179062664.db2.gz FKCRLFFLLXBNCE-MRXNPFEDSA-N 2 2 284.444 1.844 40 0 biogenic,in-vitro CDABLP CC(C)CCO[C@H]1COCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000085436030 179062666 /nfs/dbraw/zinc/06/26/66/179062666.db2.gz FKCRLFFLLXBNCE-MRXNPFEDSA-N 2 2 284.444 1.844 40 0 biogenic,in-vitro CDABLP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC4CC4)C[C@H]3C2)nc1 ZINC000096161612 358710975 /nfs/dbraw/zinc/71/09/75/358710975.db2.gz GCSQTHWXASPCMQ-GASCZTMLSA-N 2 2 257.381 1.855 40 0 CDABLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CC4)C[C@H]3C2)nc1 ZINC000096161612 358710977 /nfs/dbraw/zinc/71/09/77/358710977.db2.gz GCSQTHWXASPCMQ-GASCZTMLSA-N 2 2 257.381 1.855 40 0 CDABLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CC4)C[C@H]3C2)nc1 ZINC000096161612 358710979 /nfs/dbraw/zinc/71/09/79/358710979.db2.gz GCSQTHWXASPCMQ-GASCZTMLSA-N 2 2 257.381 1.855 40 0 CDABLP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CC4)C[C@H]3C2)nc1 ZINC000096161612 358710980 /nfs/dbraw/zinc/71/09/80/358710980.db2.gz GCSQTHWXASPCMQ-GASCZTMLSA-N 2 2 257.381 1.855 40 0 CDABLP C[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccsc1)C2 ZINC000096201913 358719494 /nfs/dbraw/zinc/71/94/94/358719494.db2.gz DSYKGZRMLUKKPP-CQSZACIVSA-N 2 2 266.410 1.902 40 0 CDABLP C[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccsc1)C2 ZINC000096201913 358719497 /nfs/dbraw/zinc/71/94/97/358719497.db2.gz DSYKGZRMLUKKPP-CQSZACIVSA-N 2 2 266.410 1.902 40 0 CDABLP C[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096201913 358719501 /nfs/dbraw/zinc/71/95/01/358719501.db2.gz DSYKGZRMLUKKPP-CQSZACIVSA-N 2 2 266.410 1.902 40 0 CDABLP C[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096201913 358719503 /nfs/dbraw/zinc/71/95/03/358719503.db2.gz DSYKGZRMLUKKPP-CQSZACIVSA-N 2 2 266.410 1.902 40 0 CDABLP CNC(=O)C[NH+]1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257255115 190021113 /nfs/dbraw/zinc/02/11/13/190021113.db2.gz KGDSOMKEEUJWKH-UHFFFAOYSA-N 2 2 261.369 1.391 40 0 CDABLP Cc1c[nH]c([C@H]2CC[N@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257276973 280279288 /nfs/dbraw/zinc/27/92/88/280279288.db2.gz NVXSEFOUSOWRAO-LBPRGKRZSA-N 2 2 265.357 1.049 40 0 CDABLP Cc1c[nH]c([C@H]2CC[N@@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257276973 280279291 /nfs/dbraw/zinc/27/92/91/280279291.db2.gz NVXSEFOUSOWRAO-LBPRGKRZSA-N 2 2 265.357 1.049 40 0 CDABLP c1cn(CCC[NH2+]Cc2cnc(N3CCCC3)nc2)c[nH+]1 ZINC000062717817 333176201 /nfs/dbraw/zinc/17/62/01/333176201.db2.gz KSAGKMRFNQEZRY-UHFFFAOYSA-N 2 2 286.383 1.453 40 0 CDABLP Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c[nH+]3)C2=O)cc1 ZINC000105331266 230393723 /nfs/dbraw/zinc/39/37/23/230393723.db2.gz TTWFLOZHCSYQOB-CQSZACIVSA-N 2 2 298.346 1.182 40 0 CDABLP Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH+]c[nH]3)C2=O)cc1 ZINC000105331266 230393724 /nfs/dbraw/zinc/39/37/24/230393724.db2.gz TTWFLOZHCSYQOB-CQSZACIVSA-N 2 2 298.346 1.182 40 0 CDABLP COCCC[NH2+][C@@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC000036739948 356879586 /nfs/dbraw/zinc/87/95/86/356879586.db2.gz KKWHMLIYLZNJMB-HZPDHXFCSA-N 2 2 296.386 1.387 40 0 CDABLP COCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC000036739948 356879588 /nfs/dbraw/zinc/87/95/88/356879588.db2.gz KKWHMLIYLZNJMB-HZPDHXFCSA-N 2 2 296.386 1.387 40 0 CDABLP Cc1cccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cnn(C)c2)[nH+]1 ZINC000306138570 374969715 /nfs/dbraw/zinc/96/97/15/374969715.db2.gz SAYGZLGRSMOSSE-HZPDHXFCSA-N 2 2 297.406 1.977 40 0 CDABLP Cc1cccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnn(C)c2)[nH+]1 ZINC000306138570 374969717 /nfs/dbraw/zinc/96/97/17/374969717.db2.gz SAYGZLGRSMOSSE-HZPDHXFCSA-N 2 2 297.406 1.977 40 0 CDABLP Nc1cc(CC[C@H]2C[N@H+](Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257211350 190012072 /nfs/dbraw/zinc/01/20/72/190012072.db2.gz BYOBBFMFWOJQBD-INIZCTEOSA-N 2 2 298.390 1.892 40 0 CDABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257211350 190012073 /nfs/dbraw/zinc/01/20/73/190012073.db2.gz BYOBBFMFWOJQBD-INIZCTEOSA-N 2 2 298.390 1.892 40 0 CDABLP C1CC1c1nc(N2CCC[NH2+]CC2)c2c([nH+]1)CCC2 ZINC000096517011 390532013 /nfs/dbraw/zinc/53/20/13/390532013.db2.gz RKHOVCLLDLREME-UHFFFAOYSA-N 2 2 258.369 1.642 40 0 CDABLP Cc1n[nH]c(C)c1CCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000096523569 390536472 /nfs/dbraw/zinc/53/64/72/390536472.db2.gz GIMGLRMYAGDKJT-ZDUSSCGKSA-N 2 2 250.390 1.772 40 0 CDABLP Cc1n[nH]c(C)c1CCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000096523569 390536479 /nfs/dbraw/zinc/53/64/79/390536479.db2.gz GIMGLRMYAGDKJT-ZDUSSCGKSA-N 2 2 250.390 1.772 40 0 CDABLP CC[NH+](CC)C[C@H]1CN(C(C)C)Cc2c[nH+]cn21 ZINC000248179017 362157155 /nfs/dbraw/zinc/15/71/55/362157155.db2.gz XKQXLCHNYIPLEY-AWEZNQCLSA-N 2 2 250.390 1.990 40 0 CDABLP Cn1c[nH+]cc1C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000257248446 362581377 /nfs/dbraw/zinc/58/13/77/362581377.db2.gz JDSKVTRFBGUJCU-UHFFFAOYSA-N 2 2 279.384 1.141 40 0 CDABLP COc1ccc(C(=O)C(C[NH+](C)C)C[NH+](C)C)cc1 ZINC000031416401 356765273 /nfs/dbraw/zinc/76/52/73/356765273.db2.gz CKCSYKNKPJUIIK-UHFFFAOYSA-N 2 2 264.369 1.617 40 0 CDABLP C[C@H](C[NH2+]CCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000047219105 357154066 /nfs/dbraw/zinc/15/40/66/357154066.db2.gz QAJNJEGLSZLGFZ-GFCCVEGCSA-N 2 2 267.373 1.841 40 0 CDABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cncn3C)C2)[nH+]1 ZINC000257343799 190037829 /nfs/dbraw/zinc/03/78/29/190037829.db2.gz ZULXUHGEJHUSTJ-GFCCVEGCSA-N 2 2 259.357 1.452 40 0 CDABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cncn3C)C2)[nH+]1 ZINC000257343799 190037830 /nfs/dbraw/zinc/03/78/30/190037830.db2.gz ZULXUHGEJHUSTJ-GFCCVEGCSA-N 2 2 259.357 1.452 40 0 CDABLP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cn1 ZINC000096110642 185100538 /nfs/dbraw/zinc/10/05/38/185100538.db2.gz VYDAPYFRJOMATF-HZPDHXFCSA-N 2 2 297.406 1.379 40 0 CDABLP CC(C)c1[nH+]ccn1C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000195545749 363453522 /nfs/dbraw/zinc/45/35/22/363453522.db2.gz OQPUCFZDIPNVQJ-MELADBBJSA-N 2 2 281.400 1.477 40 0 CDABLP CN(C[C@H]1CC[N@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408360 356991993 /nfs/dbraw/zinc/99/19/93/356991993.db2.gz GSVBHMSPESVQRN-LLVKDONJSA-N 2 2 257.378 1.134 40 0 CDABLP CN(C[C@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OC(C)(C)C ZINC000079408360 356991996 /nfs/dbraw/zinc/99/19/96/356991996.db2.gz GSVBHMSPESVQRN-LLVKDONJSA-N 2 2 257.378 1.134 40 0 CDABLP C[NH+](C)Cc1[nH]nc2c1CC[N@H+](Cc1cccnc1)C2 ZINC000096255835 358728732 /nfs/dbraw/zinc/72/87/32/358728732.db2.gz YAWSENUBQMKIAB-UHFFFAOYSA-N 2 2 271.368 1.425 40 0 CDABLP C[NH+](C)Cc1[nH]nc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000096255835 358728735 /nfs/dbraw/zinc/72/87/35/358728735.db2.gz YAWSENUBQMKIAB-UHFFFAOYSA-N 2 2 271.368 1.425 40 0 CDABLP C[NH+](C)Cc1n[nH]c2c1CC[N@H+](Cc1cccnc1)C2 ZINC000096255835 358728738 /nfs/dbraw/zinc/72/87/38/358728738.db2.gz YAWSENUBQMKIAB-UHFFFAOYSA-N 2 2 271.368 1.425 40 0 CDABLP C[NH+](C)Cc1n[nH]c2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000096255835 358728742 /nfs/dbraw/zinc/72/87/42/358728742.db2.gz YAWSENUBQMKIAB-UHFFFAOYSA-N 2 2 271.368 1.425 40 0 CDABLP [NH3+][C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257202757 190010538 /nfs/dbraw/zinc/01/05/38/190010538.db2.gz ANHDILNCTYARJV-KBXIAJHMSA-N 2 2 280.343 1.129 40 0 CDABLP CC(=O)N1CCC([N@@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257274500 190024941 /nfs/dbraw/zinc/02/49/41/190024941.db2.gz NLILVIFVJXUIBP-ZDUSSCGKSA-N 2 2 276.384 1.518 40 0 CDABLP CC(=O)N1CCC([N@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257274500 190024942 /nfs/dbraw/zinc/02/49/42/190024942.db2.gz NLILVIFVJXUIBP-ZDUSSCGKSA-N 2 2 276.384 1.518 40 0 CDABLP Cc1cc(CCO)c[nH+]c1N1CC[NH+](C(C)C)CC1 ZINC000072222678 390624259 /nfs/dbraw/zinc/62/42/59/390624259.db2.gz HLHVNAPSAZLAAC-UHFFFAOYSA-N 2 2 263.385 1.455 40 0 CDABLP CNC(=O)C[N@@H+]1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000072380924 176387397 /nfs/dbraw/zinc/38/73/97/176387397.db2.gz HNWSKEJEOFJSGO-CYBMUJFWSA-N 2 2 276.384 1.073 40 0 CDABLP CNC(=O)C[N@H+]1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000072380924 176387398 /nfs/dbraw/zinc/38/73/98/176387398.db2.gz HNWSKEJEOFJSGO-CYBMUJFWSA-N 2 2 276.384 1.073 40 0 CDABLP CN(C(=O)OC(C)(C)C)C1CC[NH+](CC[NH3+])CC1 ZINC000079408371 281810650 /nfs/dbraw/zinc/81/06/50/281810650.db2.gz PUWHGJPLLXRPRQ-UHFFFAOYSA-N 2 2 257.378 1.276 40 0 CDABLP Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cnn(C)c2)[nH+]1 ZINC000096063974 185084392 /nfs/dbraw/zinc/08/43/92/185084392.db2.gz SAYGZLGRSMOSSE-CVEARBPZSA-N 2 2 297.406 1.977 40 0 CDABLP Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cnn(C)c2)[nH+]1 ZINC000096063974 185084393 /nfs/dbraw/zinc/08/43/93/185084393.db2.gz SAYGZLGRSMOSSE-CVEARBPZSA-N 2 2 297.406 1.977 40 0 CDABLP Cc1ccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C[NH+](C)C)C2)cn1 ZINC000248146943 362153874 /nfs/dbraw/zinc/15/38/74/362153874.db2.gz WBPZJJZHZQDRAK-HNNXBMFYSA-N 2 2 299.378 1.345 40 0 CDABLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000004448428 363241600 /nfs/dbraw/zinc/24/16/00/363241600.db2.gz ZSLNMPNMWSJGRY-HNNXBMFYSA-N 2 2 293.455 1.948 40 0 CDABLP C[C@H](C(=O)N1CCCC1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000026439476 359421870 /nfs/dbraw/zinc/42/18/70/359421870.db2.gz ZSLNMPNMWSJGRY-OAHLLOKOSA-N 2 2 293.455 1.948 40 0 CDABLP c1cn2c([nH+]1)C[C@H]1C[N@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306124244 374968611 /nfs/dbraw/zinc/96/86/11/374968611.db2.gz BKLCJVNESLNMKC-KBPBESRZSA-N 2 2 254.337 1.582 40 0 CDABLP c1cn2c([nH+]1)C[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306124244 374968614 /nfs/dbraw/zinc/96/86/14/374968614.db2.gz BKLCJVNESLNMKC-KBPBESRZSA-N 2 2 254.337 1.582 40 0 CDABLP Cc1[nH+]ccn1CCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000230173553 375532664 /nfs/dbraw/zinc/53/26/64/375532664.db2.gz HPHQQAUWKWEEQC-FMTVUPSXSA-N 2 2 269.414 1.423 40 0 CDABLP Cc1[nH+]ccn1CCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000230173553 375532668 /nfs/dbraw/zinc/53/26/68/375532668.db2.gz HPHQQAUWKWEEQC-FMTVUPSXSA-N 2 2 269.414 1.423 40 0 CDABLP CNc1cc([C@H]2CCCN2C(=O)Cn2cc[nH+]c2)cc[nH+]1 ZINC000257207485 190011482 /nfs/dbraw/zinc/01/14/82/190011482.db2.gz BHZIADYBAICFKM-CYBMUJFWSA-N 2 2 285.351 1.684 40 0 CDABLP Cn1cc(C[N@@H+]2CC[C@@H](c3ncc(C[NH+](C)C)[nH]3)C2)cn1 ZINC000257302124 190030366 /nfs/dbraw/zinc/03/03/66/190030366.db2.gz SBQFOSIZFBIEFK-CYBMUJFWSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cc(C[N@H+]2CC[C@@H](c3ncc(C[NH+](C)C)[nH]3)C2)cn1 ZINC000257302124 190030367 /nfs/dbraw/zinc/03/03/67/190030367.db2.gz SBQFOSIZFBIEFK-CYBMUJFWSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cc(C[N@@H+]2CC[C@@H](c3nc(C[NH+](C)C)c[nH]3)C2)cn1 ZINC000257302124 190030368 /nfs/dbraw/zinc/03/03/68/190030368.db2.gz SBQFOSIZFBIEFK-CYBMUJFWSA-N 2 2 288.399 1.194 40 0 CDABLP Cn1cc(C[N@H+]2CC[C@@H](c3nc(C[NH+](C)C)c[nH]3)C2)cn1 ZINC000257302124 190030369 /nfs/dbraw/zinc/03/03/69/190030369.db2.gz SBQFOSIZFBIEFK-CYBMUJFWSA-N 2 2 288.399 1.194 40 0 CDABLP Cc1cn(C)c([C@H]2CCN(C(=O)C[NH+]3CCCCC3)C2)[nH+]1 ZINC000257325873 190033989 /nfs/dbraw/zinc/03/39/89/190033989.db2.gz WUUQKXDGGPBEBF-AWEZNQCLSA-N 2 2 290.411 1.530 40 0 CDABLP Cn1cc[nH+]c1CNc1cnc(C2CC[NH+](C)CC2)cn1 ZINC000072365427 176380809 /nfs/dbraw/zinc/38/08/09/176380809.db2.gz AFMOKIACPFEAJK-UHFFFAOYSA-N 2 2 286.383 1.631 40 0 CDABLP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110630 185100908 /nfs/dbraw/zinc/10/09/08/185100908.db2.gz JNNFXHYLKZATFK-IRXDYDNUSA-N 2 2 297.406 1.379 40 0 CDABLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257308283 362585858 /nfs/dbraw/zinc/58/58/58/362585858.db2.gz TWDSQFBERGOADT-CQSZACIVSA-N 2 2 299.378 1.453 40 0 CDABLP C[N@H+](Cc1cccs1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000041123521 379333905 /nfs/dbraw/zinc/33/39/05/379333905.db2.gz PCPNVIYFYNSKOY-CYBMUJFWSA-N 2 2 254.399 1.637 40 0 CDABLP C[N@@H+](Cc1cccs1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000041123521 379333913 /nfs/dbraw/zinc/33/39/13/379333913.db2.gz PCPNVIYFYNSKOY-CYBMUJFWSA-N 2 2 254.399 1.637 40 0 CDABLP C[NH+](Cc1cccs1)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000041123521 379333919 /nfs/dbraw/zinc/33/39/19/379333919.db2.gz PCPNVIYFYNSKOY-CYBMUJFWSA-N 2 2 254.399 1.637 40 0 CDABLP C[NH+](Cc1cccs1)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000041123521 379333927 /nfs/dbraw/zinc/33/39/27/379333927.db2.gz PCPNVIYFYNSKOY-CYBMUJFWSA-N 2 2 254.399 1.637 40 0 CDABLP CC(C)(C)OC(=O)c1ccc(CC[NH2+]C[NH3+])cc1 ZINC000077031594 177155946 /nfs/dbraw/zinc/15/59/46/177155946.db2.gz JBJDTPIPPYKWFD-UHFFFAOYSA-N 2 2 250.342 1.690 40 0 CDABLP CCN(C[C@@H]1CCC[N@@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408420 356992257 /nfs/dbraw/zinc/99/22/57/356992257.db2.gz HROXEUBMOMASTI-LBPRGKRZSA-N 2 2 271.405 1.667 40 0 CDABLP CCN(C[C@@H]1CCC[N@H+]1CC[NH3+])C(=O)OC(C)(C)C ZINC000079408420 356992261 /nfs/dbraw/zinc/99/22/61/356992261.db2.gz HROXEUBMOMASTI-LBPRGKRZSA-N 2 2 271.405 1.667 40 0 CDABLP [NH3+]CC[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411407 356993864 /nfs/dbraw/zinc/99/38/64/356993864.db2.gz YZUJNHJWSMQTKT-OAHLLOKOSA-N 2 2 291.395 1.584 40 0 CDABLP [NH3+]CC[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079411407 356993870 /nfs/dbraw/zinc/99/38/70/356993870.db2.gz YZUJNHJWSMQTKT-OAHLLOKOSA-N 2 2 291.395 1.584 40 0 CDABLP C[C@H](C[NH2+]CCC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000047219061 175404894 /nfs/dbraw/zinc/40/48/94/175404894.db2.gz JBJFBZHMKBAIFI-CYBMUJFWSA-N 2 2 286.416 1.276 40 0 CDABLP Cn1cc[nH+]c1CNc1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072365426 176380695 /nfs/dbraw/zinc/38/06/95/176380695.db2.gz YILAZSLNWVJNGD-LBPRGKRZSA-N 2 2 286.383 1.631 40 0 CDABLP Cn1cc[nH+]c1CNc1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365426 176380697 /nfs/dbraw/zinc/38/06/97/176380697.db2.gz YILAZSLNWVJNGD-LBPRGKRZSA-N 2 2 286.383 1.631 40 0 CDABLP Cn1cc[nH+]c1CNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072365711 176380940 /nfs/dbraw/zinc/38/09/40/176380940.db2.gz KCVWOKVMDIYQMN-GFCCVEGCSA-N 2 2 299.378 1.212 40 0 CDABLP C[NH+]1CCC(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000091211698 180112454 /nfs/dbraw/zinc/11/24/54/180112454.db2.gz DHVRTNVTMAQOKU-UHFFFAOYSA-N 2 2 298.390 1.830 40 0 CDABLP C[N@H+](CC[NH3+])[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390940 356988431 /nfs/dbraw/zinc/98/84/31/356988431.db2.gz LUVNRPXKJPTWHS-CQSZACIVSA-N 2 2 277.368 1.288 40 0 CDABLP C[N@@H+](CC[NH3+])[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079390940 356988432 /nfs/dbraw/zinc/98/84/32/356988432.db2.gz LUVNRPXKJPTWHS-CQSZACIVSA-N 2 2 277.368 1.288 40 0 CDABLP c1cn(Cc2noc3c2C[N@@H+]([C@@H]2CCOC2)CC3)c[nH+]1 ZINC000096259770 358729838 /nfs/dbraw/zinc/72/98/38/358729838.db2.gz NASHRLFBXWKQRW-LLVKDONJSA-N 2 2 274.324 1.066 40 0 CDABLP c1cn(Cc2noc3c2C[N@H+]([C@@H]2CCOC2)CC3)c[nH+]1 ZINC000096259770 358729840 /nfs/dbraw/zinc/72/98/40/358729840.db2.gz NASHRLFBXWKQRW-LLVKDONJSA-N 2 2 274.324 1.066 40 0 CDABLP COc1ccc([C@H]2C[NH2+]CCN2Cc2[nH]cc[nH+]2)cc1 ZINC000257228422 190016249 /nfs/dbraw/zinc/01/62/49/190016249.db2.gz FTUGYZDHXBSJGP-CQSZACIVSA-N 2 2 272.352 1.565 40 0 CDABLP Cc1[nH+]c[nH]c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257251010 190019736 /nfs/dbraw/zinc/01/97/36/190019736.db2.gz JPAFUHPQEBEJJI-HNNXBMFYSA-N 2 2 256.353 1.865 40 0 CDABLP CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2CC(N)=O)[nH+]1 ZINC000257278547 190025868 /nfs/dbraw/zinc/02/58/68/190025868.db2.gz OCRCITCQFRSYEF-CQSZACIVSA-N 2 2 290.411 1.420 40 0 CDABLP CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2CC(N)=O)[nH+]1 ZINC000257278547 190025869 /nfs/dbraw/zinc/02/58/69/190025869.db2.gz OCRCITCQFRSYEF-CQSZACIVSA-N 2 2 290.411 1.420 40 0 CDABLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC000328649759 375908167 /nfs/dbraw/zinc/90/81/67/375908167.db2.gz IVMCBCZUTZHDTD-ZDUSSCGKSA-N 2 2 274.372 1.411 40 0 CDABLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC000328649759 375908174 /nfs/dbraw/zinc/90/81/74/375908174.db2.gz IVMCBCZUTZHDTD-ZDUSSCGKSA-N 2 2 274.372 1.411 40 0 CDABLP CC[NH+](CC)C1(Cc2cc(C[NH+](C)C)on2)COC1 ZINC000067897778 377285618 /nfs/dbraw/zinc/28/56/18/377285618.db2.gz CRTHFZLJPOFHSW-UHFFFAOYSA-N 2 2 267.373 1.390 40 0 biogenic,in-vitro CDABLP CCn1c[nH+]cc1CN(C)CC[NH+]1CCCCC1 ZINC000072398250 523573708 /nfs/dbraw/zinc/57/37/08/523573708.db2.gz NMQNZZISQGXPLZ-UHFFFAOYSA-N 2 2 250.390 1.821 40 0 CDABLP