smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CCN2C[C@H](C(=O)[O-])C1 ZINC000107768744 206023087 /nfs/dbraw/zinc/02/30/87/206023087.db2.gz ZOGJLSPFHMPGFU-HZPDHXFCSA-N -1 3 356.426 0.941 40 0 FCABHM COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(cccc3[O-])[C@@]2(O)C(=O)OC)[C@@H](C)O1 ZINC000230105992 206531706 /nfs/dbraw/zinc/53/17/06/206531706.db2.gz FIOXBLMFCQXRMK-UBVDWCKXSA-N -1 3 364.350 0.676 40 0 biogenic,in-vitro FCABHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)Cn1ncc3ccccc3c1=O)CC2 ZINC000019286406 487602536 /nfs/dbraw/zinc/60/25/36/487602536.db2.gz RGJXANZFAKHGPD-UHFFFAOYSA-N -1 3 365.393 0.416 40 0 FCABHM C[C@H](O)CNC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000006294997 204242992 /nfs/dbraw/zinc/24/29/92/204242992.db2.gz UBFMFZPUWSJVFT-JTQLQIEISA-N -1 3 359.411 0.698 40 0 FCABHM C[C@H](O)CNC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000006294997 204242998 /nfs/dbraw/zinc/24/29/98/204242998.db2.gz UBFMFZPUWSJVFT-JTQLQIEISA-N -1 3 359.411 0.698 40 0 FCABHM COc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Cl ZINC000012968676 487560278 /nfs/dbraw/zinc/56/02/78/487560278.db2.gz PXWTUABSOIWASN-UHFFFAOYSA-N -1 3 359.791 0.547 40 0 FCABHM Cc1cc(C)n(C)c(=O)c1C(=O)NCc1cc(=O)[n-]c(N2CCCC2)n1 ZINC000019572275 487604056 /nfs/dbraw/zinc/60/40/56/487604056.db2.gz PHCDDVLDHGSVFU-UHFFFAOYSA-N -1 3 357.414 0.616 40 0 FCABHM Cc1ncncc1C(=O)N[C@@H](c1cc(=O)[n-]c(N2CCOCC2)n1)C(C)C ZINC000019553015 487604116 /nfs/dbraw/zinc/60/41/16/487604116.db2.gz OWCPDUOEQUTHSQ-MRXNPFEDSA-N -1 3 372.429 0.832 40 0 FCABHM COCCN1C[C@@H]2CN(C(=O)c3ccco3)CCN2C[C@@H](C(=O)[O-])C1 ZINC000247908184 488491267 /nfs/dbraw/zinc/49/12/67/488491267.db2.gz XULLORJRGLEDQE-UONOGXRCSA-N -1 3 351.403 0.069 40 0 FCABHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CCN1C(=O)[C@@H]3CCCC[C@H]3C1=O)C2 ZINC000100164420 488494162 /nfs/dbraw/zinc/49/41/62/488494162.db2.gz VTGFZYHHZDEXDS-CHWSQXEVSA-N -1 3 372.425 0.528 40 0 FCABHM O=C([O-])c1ccccc1CN1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000257206059 488523184 /nfs/dbraw/zinc/52/31/84/488523184.db2.gz BBQABWVHZWPSQP-ZACQAIPSSA-N -1 3 350.415 0.013 40 0 FCABHM Cc1nn(C)cc1S(=O)(=O)N1CCO[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000257329799 488525820 /nfs/dbraw/zinc/52/58/20/488525820.db2.gz XLOYTACWIDMRDX-LBPRGKRZSA-N -1 3 353.404 0.295 40 0 FCABHM COc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN(C)C)c2=O)cc1Cl ZINC000222675151 546844794 /nfs/dbraw/zinc/84/47/94/546844794.db2.gz DICUQRZQKWSGRQ-UHFFFAOYSA-N -1 3 353.762 0.948 40 0 FCABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCCO ZINC000006235057 204242222 /nfs/dbraw/zinc/24/22/22/204242222.db2.gz QFPDHNKEHGCYCA-UHFFFAOYSA-N -1 3 350.396 0.975 40 0 FCABHM C[C@H](CO)NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000006420505 204248499 /nfs/dbraw/zinc/24/84/99/204248499.db2.gz AEJMUYKDTAMAQT-SNVBAGLBSA-N -1 3 359.411 0.698 40 0 FCABHM C[C@H](CO)NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000006420505 204248500 /nfs/dbraw/zinc/24/85/00/204248500.db2.gz AEJMUYKDTAMAQT-SNVBAGLBSA-N -1 3 359.411 0.698 40 0 FCABHM Cc1cccc(CC(=O)NCc2cc(=O)[n-]c(N3CCN(C)CC3)n2)c1 ZINC000019234875 136152310 /nfs/dbraw/zinc/15/23/10/136152310.db2.gz YAQIJLFAQAJXAK-UHFFFAOYSA-N -1 3 355.442 0.689 40 0 FCABHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000363712898 488877663 /nfs/dbraw/zinc/87/76/63/488877663.db2.gz WEXRHCCBRMLKFQ-WBVHZDCISA-N -1 3 373.453 0.930 40 0 FCABHM C[C@H]1CCCN(C(=O)CN2CCc3nc(N4CCCC4)[n-]c(=O)c3C2)C1 ZINC000012144571 487549960 /nfs/dbraw/zinc/54/99/60/487549960.db2.gz CNUUQQIDHVIIFB-AWEZNQCLSA-N -1 3 359.474 0.987 40 0 FCABHM CN(C)c1ncc(C(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)cn1 ZINC000257302542 488525332 /nfs/dbraw/zinc/52/53/32/488525332.db2.gz SDGUFCPCMPYASY-CQSZACIVSA-N -1 3 358.402 0.512 40 0 FCABHM O=C(C1CCCCC1)N1C[C@H]2[N-]S(=O)(=O)c3cccnc3O[C@H]2C1 ZINC000514288739 490769037 /nfs/dbraw/zinc/76/90/37/490769037.db2.gz BEOJQEIJYKBRMY-OLZOCXBDSA-N -1 3 351.428 0.912 40 0 biogenic,in-vitro FCABHM O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12)c1ccnnc1 ZINC000575405301 491552581 /nfs/dbraw/zinc/55/25/81/491552581.db2.gz RGXXMOAQVZRROV-DJIMGWMZSA-N -1 3 368.393 0.699 40 0 FCABHM CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCC[C@@H](C)C2)s1 ZINC000223407012 488448322 /nfs/dbraw/zinc/44/83/22/488448322.db2.gz NILRKGKYQTUDIG-SNVBAGLBSA-N -1 3 361.493 0.897 40 0 FCABHM C[C@@H](CO)NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000006420460 204248185 /nfs/dbraw/zinc/24/81/85/204248185.db2.gz AEJMUYKDTAMAQT-JTQLQIEISA-N -1 3 359.411 0.698 40 0 FCABHM C[C@@H](CO)NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000006420460 204248188 /nfs/dbraw/zinc/24/81/88/204248188.db2.gz AEJMUYKDTAMAQT-JTQLQIEISA-N -1 3 359.411 0.698 40 0 FCABHM CN1CCN(CCCNC(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000022822116 487624409 /nfs/dbraw/zinc/62/44/09/487624409.db2.gz JCNSGRVLONAASI-UHFFFAOYSA-N -1 3 354.476 0.425 40 0 FCABHM COc1cc(=O)oc([C@H](CC(C)C)NC(=O)[C@@H](O)C[C@@H](N)C(=O)[O-])c1 ZINC000230107217 488452318 /nfs/dbraw/zinc/45/23/18/488452318.db2.gz KPJWCCNQYSXELE-WOPDTQHZSA-N -1 3 356.375 0.015 40 0 biogenic,in-vitro FCABHM COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)[N-]C3=NC(=C(C)C)NN32)c1 ZINC000014607192 206311334 /nfs/dbraw/zinc/31/13/34/206311334.db2.gz FXAOLTASNZUYHX-LBPRGKRZSA-N -1 3 359.386 0.958 40 0 FCABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2nccn2C)C3)C[C@@H](C)O1 ZINC000072335577 136144360 /nfs/dbraw/zinc/14/43/60/136144360.db2.gz HFWHTIYKUNDYOP-CHWSQXEVSA-N -1 3 358.446 0.675 40 0 FCABHM Cc1cc(C(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)[n-]c(=O)n1 ZINC000257211992 488523584 /nfs/dbraw/zinc/52/35/84/488523584.db2.gz CBLMSPQAFSDEGP-KRWDZBQOSA-N -1 3 350.419 0.180 40 0 FCABHM CCN(CC)S(=O)(=O)N1CC[C@H](c2[n-]ncc2S(C)(=O)=O)C1 ZINC000257265520 488524541 /nfs/dbraw/zinc/52/45/41/488524541.db2.gz LYZSIDNCLPMPBB-JTQLQIEISA-N -1 3 350.466 0.189 40 0 FCABHM CCN(CC)S(=O)(=O)N1CC[C@H](c2n[n-]cc2S(C)(=O)=O)C1 ZINC000257265520 488524545 /nfs/dbraw/zinc/52/45/45/488524545.db2.gz LYZSIDNCLPMPBB-JTQLQIEISA-N -1 3 350.466 0.189 40 0 FCABHM COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)cc1C ZINC000019571425 206326894 /nfs/dbraw/zinc/32/68/94/206326894.db2.gz XFENDXIFHWFBSC-UHFFFAOYSA-N -1 3 353.400 0.366 40 0 FCABHM CCCCSC[C@H](NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O)C(=O)OC ZINC000017022841 487595504 /nfs/dbraw/zinc/59/55/04/487595504.db2.gz DMGBMAFCALOMMR-DGMVEKRQSA-N -1 3 369.443 0.576 40 0 FCABHM CC(=O)c1ccc(S(=O)(=O)NCCCc2c(C)nc(N)[n-]c2=O)cc1 ZINC000017039753 487596180 /nfs/dbraw/zinc/59/61/80/487596180.db2.gz NXGAYCOWHUIZHR-UHFFFAOYSA-N -1 3 364.427 0.774 40 0 FCABHM CS(=O)(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000035686174 487799352 /nfs/dbraw/zinc/79/93/52/487799352.db2.gz KKUZSODJQPEQIE-UHFFFAOYSA-N -1 3 354.837 0.732 40 0 FCABHM N[C@@H](CCC(=O)[O-])C(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1 ZINC000257254401 488524088 /nfs/dbraw/zinc/52/40/88/488524088.db2.gz KCXPRPZHATZIKZ-IPYPFGDCSA-N -1 3 358.398 0.184 40 0 FCABHM CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000257244827 488524213 /nfs/dbraw/zinc/52/42/13/488524213.db2.gz IMZXTPYUSRNZLD-ZDUSSCGKSA-N -1 3 354.476 0.690 40 0 FCABHM Cc1nc([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)cc(=O)[n-]1 ZINC000257281455 488524848 /nfs/dbraw/zinc/52/48/48/488524848.db2.gz OPGCAHXEESBYGT-INIZCTEOSA-N -1 3 357.414 0.918 40 0 FCABHM CCNC(=S)NN=c1nc(N2CCCC2)nc(N2CCOCC2)[n-]1 ZINC000408725931 528276839 /nfs/dbraw/zinc/27/68/39/528276839.db2.gz OEEZLVOGRMOQEV-UHFFFAOYSA-N -1 3 352.468 0.119 40 0 FCABHM COCCn1nnnc1CN1CCC(Nc2nc(C)c(C)c(=O)[n-]2)CC1 ZINC000057721231 205243813 /nfs/dbraw/zinc/24/38/13/205243813.db2.gz YGCJGAAROJIBRS-UHFFFAOYSA-N -1 3 362.438 0.096 40 0 FCABHM COCCN1C[C@@H]2CN(C(=O)c3ccco3)CCN2C[C@H](C(=O)[O-])C1 ZINC000107768816 206022682 /nfs/dbraw/zinc/02/26/82/206022682.db2.gz XULLORJRGLEDQE-ZIAGYGMSSA-N -1 3 351.403 0.069 40 0 FCABHM O=S(=O)([N-]Cc1ccnc(N2CCOCC2)n1)c1ccccc1F ZINC000224223172 132282450 /nfs/dbraw/zinc/28/24/50/132282450.db2.gz HVDCSDMPKOTTAI-UHFFFAOYSA-N -1 3 352.391 0.931 40 0 FCABHM COc1ccc(N2C(=O)C[C@H](SC[C@H](N)C(=O)[O-])C2=O)c(OC)c1 ZINC000016899901 487595987 /nfs/dbraw/zinc/59/59/87/487595987.db2.gz DLULGAGNMZEQBH-CABZTGNLSA-N -1 3 354.384 0.481 40 0 FCABHM COc1ccc(CCNC(=O)CSc2cc(=O)[n-]c(N)n2)cc1OC ZINC000018211745 487600729 /nfs/dbraw/zinc/60/07/29/487600729.db2.gz DMDYWWWHUQKOBX-UHFFFAOYSA-N -1 3 364.427 0.820 40 0 FCABHM Cc1nc2c(nnn2C[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(=O)[n-]1 ZINC000019286508 487602655 /nfs/dbraw/zinc/60/26/55/487602655.db2.gz PFSMECMWNAZMPI-GFCCVEGCSA-N -1 3 374.426 0.676 40 0 FCABHM COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(cccc3[O-])[C@@]2(O)C(=O)OC)[C@H](C)O1 ZINC000248000585 523306591 /nfs/dbraw/zinc/30/65/91/523306591.db2.gz FIOXBLMFCQXRMK-AMXUJOTJSA-N -1 3 364.350 0.676 40 0 biogenic,in-vitro FCABHM COCCN1C[C@H]2CN(C(=O)c3ccco3)CCN2C[C@@H](C(=O)[O-])C1 ZINC000096064137 209106346 /nfs/dbraw/zinc/10/63/46/209106346.db2.gz XULLORJRGLEDQE-KBPBESRZSA-N -1 3 351.403 0.069 40 0 FCABHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000363712896 488877524 /nfs/dbraw/zinc/87/75/24/488877524.db2.gz WEXRHCCBRMLKFQ-NVXWUHKLSA-N -1 3 373.453 0.930 40 0 FCABHM CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3ccc(C)cc3[O-])[C@H]2O)CC1 ZINC000257258425 488523855 /nfs/dbraw/zinc/52/38/55/488523855.db2.gz KTUPPCSODFTAHH-JFIYKMOQSA-N -1 3 361.442 0.486 40 0 FCABHM Cc1cc(=O)[n-]c([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 ZINC000257238588 488524282 /nfs/dbraw/zinc/52/42/82/488524282.db2.gz HLROKVAKBDSGTR-OAHLLOKOSA-N -1 3 357.414 0.918 40 0 FCABHM CS(=O)(=O)c1cn[n-]c1C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000257244826 488524312 /nfs/dbraw/zinc/52/43/12/488524312.db2.gz IMZXTPYUSRNZLD-CYBMUJFWSA-N -1 3 354.476 0.690 40 0 FCABHM Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1 ZINC000257313877 488525782 /nfs/dbraw/zinc/52/57/82/488525782.db2.gz UULZFMUKVDADTN-HNNXBMFYSA-N -1 3 359.430 0.935 40 0 FCABHM O=S(=O)([N-][C@H]1CO[C@@H](CN2CCC(F)(F)C2)[C@@H]1O)c1cccs1 ZINC000514288959 490768928 /nfs/dbraw/zinc/76/89/28/490768928.db2.gz LIQVBBNMUSHNGH-JBLDHEPKSA-N -1 3 368.427 0.496 40 0 biogenic,in-vitro FCABHM CN(C)C(=O)COC[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21 ZINC000575404334 491552527 /nfs/dbraw/zinc/55/25/27/491552527.db2.gz AXPVEYCVCNMDDP-OAHLLOKOSA-N -1 3 358.398 0.891 40 0 FCABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCN2CCOCC2)c(Cl)c1 ZINC000020049569 525216693 /nfs/dbraw/zinc/21/66/93/525216693.db2.gz ZLFDINMJFZQYKG-UHFFFAOYSA-N -1 3 361.851 0.774 40 0 FCABHM Cc1nn(C)cc1CN1CCc2c(=O)[n-]c(N3C[C@@H](C)O[C@H](C)C3)nc2C1 ZINC000072335574 136144351 /nfs/dbraw/zinc/14/43/51/136144351.db2.gz APIHQADWSBXXQP-CHWSQXEVSA-N -1 3 372.473 0.984 40 0 FCABHM Cc1ccc2[nH]c(C(=O)NCc3cc(=O)[n-]c(N4CCOCC4)n3)nc2c1 ZINC000019219667 136152189 /nfs/dbraw/zinc/15/21/89/136152189.db2.gz YNCIJNMLHNCCDW-UHFFFAOYSA-N -1 3 368.397 0.721 40 0 FCABHM Cc1ccc2nc(C(=O)NCc3cc(=O)[n-]c(N4CCOCC4)n3)[nH]c2c1 ZINC000019219667 136152190 /nfs/dbraw/zinc/15/21/90/136152190.db2.gz YNCIJNMLHNCCDW-UHFFFAOYSA-N -1 3 368.397 0.721 40 0 FCABHM O=C1[N-]C(=O)[C@@](Cc2ccc(N(CCO)CCO)cc2)(c2ccccc2)N1 ZINC000002046047 487470052 /nfs/dbraw/zinc/47/00/52/487470052.db2.gz NONYFTYHNZJDQV-HXUWFJFHSA-N -1 3 369.421 0.755 40 0 FCABHM COc1cc([C@@H](O)[C@]2(c3ccc(O)c(OC)c3)NC(=O)[N-]C2=O)ccc1O ZINC000001681736 487470169 /nfs/dbraw/zinc/47/01/69/487470169.db2.gz DPSIXARYQVDMII-QAPCUYQASA-N -1 3 374.349 0.883 40 0 FCABHM CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(S(C)(=O)=O)C2 ZINC000019498847 487603673 /nfs/dbraw/zinc/60/36/73/487603673.db2.gz PNQOHLXVSVERKR-CYBMUJFWSA-N -1 3 368.459 0.551 40 0 FCABHM COCCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1 ZINC000019593085 487605560 /nfs/dbraw/zinc/60/55/60/487605560.db2.gz VCZJHNFRCHNPEY-ZDUSSCGKSA-N -1 3 374.441 0.417 40 0 FCABHM COc1ccc(NC(=O)C[C@@H](C(=O)[O-])N2CCN(C)CC2)c(OC)c1 ZINC000022585031 487622242 /nfs/dbraw/zinc/62/22/42/487622242.db2.gz ICHVSBBVVJZYED-AWEZNQCLSA-N -1 3 351.403 0.733 40 0 FCABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(C)S(C)(=O)=O)c2)n1 ZINC000226098594 488451330 /nfs/dbraw/zinc/45/13/30/488451330.db2.gz PFRUOBQRNLQSON-UHFFFAOYSA-N -1 3 350.400 0.575 40 0 FCABHM CN(C)c1ncc(C(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)cn1 ZINC000257302541 488525235 /nfs/dbraw/zinc/52/52/35/488525235.db2.gz SDGUFCPCMPYASY-AWEZNQCLSA-N -1 3 358.402 0.512 40 0 FCABHM Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1 ZINC000257313878 488525904 /nfs/dbraw/zinc/52/59/04/488525904.db2.gz UULZFMUKVDADTN-OAHLLOKOSA-N -1 3 359.430 0.935 40 0 FCABHM Cn1nccc1C(=O)NC[C@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12 ZINC000575406058 491552703 /nfs/dbraw/zinc/55/27/03/491552703.db2.gz XGJZVLSVHXRECM-YSVLISHTSA-N -1 3 370.409 0.643 40 0 FCABHM COc1ccc(N2C(=O)C[C@@H](SC[C@H](N)C(=O)[O-])C2=O)c(OC)c1 ZINC000101273524 209223299 /nfs/dbraw/zinc/22/32/99/209223299.db2.gz DLULGAGNMZEQBH-JOYOIKCWSA-N -1 3 354.384 0.481 40 0 FCABHM COCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408627067 533008174 /nfs/dbraw/zinc/00/81/74/533008174.db2.gz XUSYUCNKQNFTDE-SECBINFHSA-N -1 3 350.824 0.778 40 0 FCABHM Cc1c(CN2CCc3c(=O)[n-]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)cnn1C ZINC000072335569 136144467 /nfs/dbraw/zinc/14/44/67/136144467.db2.gz DJBKKFHRKKCLDJ-CHWSQXEVSA-N -1 3 372.473 0.984 40 0 FCABHM CCOC(=O)C1=C(N)Oc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1ccccc1Cl ZINC000003073391 487470536 /nfs/dbraw/zinc/47/05/36/487470536.db2.gz DAWMPVGUZWULKW-SECBINFHSA-N -1 3 363.757 0.974 40 0 FCABHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CCN1C(=O)[C@H]3CCCC[C@@H]3C1=O)C2 ZINC000012155784 487549816 /nfs/dbraw/zinc/54/98/16/487549816.db2.gz VTGFZYHHZDEXDS-STQMWFEESA-N -1 3 372.425 0.528 40 0 FCABHM O=C(c1ccccc1F)N1CCc2c(=O)[n-]c(N3CCOCC3)nc2C1 ZINC000012144895 487549882 /nfs/dbraw/zinc/54/98/82/487549882.db2.gz JOXCQWFPNDVFJO-UHFFFAOYSA-N -1 3 358.373 0.944 40 0 FCABHM COc1ccc(NC(=O)[C@H]2CC(=O)[N-]C3=NC(=C(C)C)NN32)c(OC)c1 ZINC000014607195 487573514 /nfs/dbraw/zinc/57/35/14/487573514.db2.gz CQHMBLKTFVEXMS-GFCCVEGCSA-N -1 3 359.386 0.958 40 0 FCABHM COc1ccc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)[O-])C2=O)c(OC)c1 ZINC000016899899 487595951 /nfs/dbraw/zinc/59/59/51/487595951.db2.gz DLULGAGNMZEQBH-SKDRFNHKSA-N -1 3 354.384 0.481 40 0 FCABHM CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(S(C)(=O)=O)C3)C1 ZINC000019501119 487603952 /nfs/dbraw/zinc/60/39/52/487603952.db2.gz QTJGDKYXUGGBHI-NSHDSACASA-N -1 3 368.459 0.204 40 0 FCABHM COc1ncc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cn1 ZINC000019572136 487604587 /nfs/dbraw/zinc/60/45/87/487604587.db2.gz WZPFBCSCVUIDFN-UHFFFAOYSA-N -1 3 356.430 0.770 40 0 FCABHM Cc1c([C@@H](C)NC(=O)c2cc(C)nc3c2c(=O)[n-]c(=O)n3C)cnn1C ZINC000019716352 487606491 /nfs/dbraw/zinc/60/64/91/487606491.db2.gz PJVZMRAZGIIEAP-SECBINFHSA-N -1 3 356.386 0.463 40 0 FCABHM COc1cc(=O)oc([C@H](CC(C)C)NC(=O)[C@@H](O)C[C@H](N)C(=O)[O-])c1 ZINC000072320584 488379627 /nfs/dbraw/zinc/37/96/27/488379627.db2.gz KPJWCCNQYSXELE-SRVKXCTJSA-N -1 3 356.375 0.015 40 0 biogenic,in-vitro FCABHM Cc1noc(C)c1CN1C[C@H]2[N-]S(=O)(=O)c3cccnc3O[C@H]2C1 ZINC000514289355 490768722 /nfs/dbraw/zinc/76/87/22/490768722.db2.gz IUZGCCQPFKPOBY-OLZOCXBDSA-N -1 3 350.400 0.610 40 0 biogenic,in-vitro FCABHM O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000575425771 491553809 /nfs/dbraw/zinc/55/38/09/491553809.db2.gz WFWLUMPAWIZDCH-ZJUUUORDSA-N -1 3 360.240 0.430 40 0 FCABHM Cc1nn(C)cc1S(=O)(=O)N1CCO[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000257329798 210001245 /nfs/dbraw/zinc/00/12/45/210001245.db2.gz XLOYTACWIDMRDX-GFCCVEGCSA-N -1 3 353.404 0.295 40 0 FCABHM CCOP(=O)(CS(=O)(=O)CC[C@]1(C)NC(=O)[N-]C1=O)OCC ZINC000001608044 487470038 /nfs/dbraw/zinc/47/00/38/487470038.db2.gz DEKGHSQXNZJMJD-NSHDSACASA-N -1 3 356.337 0.613 40 0 FCABHM O=C1[C@H]2CCCN2C(=O)[C@H]2C[C@@H]([N-]S(=O)(=O)c3cccs3)CCN12 ZINC000003838445 487471945 /nfs/dbraw/zinc/47/19/45/487471945.db2.gz GQWLMLXHIQFTMV-QJPTWQEYSA-N -1 3 369.468 0.391 40 0 biogenic,in-vitro FCABHM Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257242951 488524018 /nfs/dbraw/zinc/52/40/18/488524018.db2.gz IEWWZIZZGMGRSP-AWEZNQCLSA-N -1 3 359.430 0.793 40 0 FCABHM Cc1cc(CN2CC[C@]3(Cc4c(nc(N)nc4N)O3)C2)cc(C(=O)[O-])c1O ZINC000257322019 488526013 /nfs/dbraw/zinc/52/60/13/488526013.db2.gz WEHJBDGOFJHVND-SFHVURJKSA-N -1 3 371.397 0.933 40 0 FCABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCCCO ZINC000408610866 230012971 /nfs/dbraw/zinc/01/29/71/230012971.db2.gz UUZHUAVXYFSFOP-SECBINFHSA-N -1 3 350.824 0.514 40 0 FCABHM CCCCSC[C@@H](NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O)C(=O)OC ZINC000017022839 487595893 /nfs/dbraw/zinc/59/58/93/487595893.db2.gz DMGBMAFCALOMMR-ZHRWSRJISA-N -1 3 369.443 0.576 40 0 FCABHM Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CN3CC(=O)[N-]C3=O)CC1)O2 ZINC000019218196 487602728 /nfs/dbraw/zinc/60/27/28/487602728.db2.gz YSZSYUSDIKJPCF-UHFFFAOYSA-N -1 3 371.393 0.873 40 0 FCABHM Cc1c([C@H](C)NC(=O)c2cc(C)nc3c2c(=O)[n-]c(=O)n3C)cnn1C ZINC000019716353 487606474 /nfs/dbraw/zinc/60/64/74/487606474.db2.gz PJVZMRAZGIIEAP-VIFPVBQESA-N -1 3 356.386 0.463 40 0 FCABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(C(=O)c2cc[nH]n2)C3)C[C@H](C)O1 ZINC000072346963 488379646 /nfs/dbraw/zinc/37/96/46/488379646.db2.gz PHWISCQCZPTXAU-PHIMTYICSA-N -1 3 358.402 0.305 40 0 FCABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccn[nH]2)C3)C[C@H](C)O1 ZINC000072346963 488379647 /nfs/dbraw/zinc/37/96/47/488379647.db2.gz PHWISCQCZPTXAU-PHIMTYICSA-N -1 3 358.402 0.305 40 0 FCABHM Cc1nc([C@@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)cc(=O)[n-]1 ZINC000257249025 488524163 /nfs/dbraw/zinc/52/41/63/488524163.db2.gz JGJKSYLMEGOFHH-AWEZNQCLSA-N -1 3 356.448 0.288 40 0 FCABHM CC(=O)N1CCC(O)(CN2CCO[C@H](c3cc(=O)[n-]c(C)n3)C2)CC1 ZINC000257302553 488525429 /nfs/dbraw/zinc/52/54/29/488525429.db2.gz SDIYKAQQJXIXSB-HNNXBMFYSA-N -1 3 350.419 0.237 40 0 FCABHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)Cc1n[nH]c(=O)c3ccccc13)C2 ZINC000012144712 207342180 /nfs/dbraw/zinc/34/21/80/207342180.db2.gz UPLGUPOMSSYZKX-UHFFFAOYSA-N -1 3 351.366 0.442 40 0 FCABHM COc1cc([C@@H](O)[C@@]2(c3ccc(O)c(OC)c3)NC(=O)[N-]C2=O)ccc1O ZINC000001681738 487470057 /nfs/dbraw/zinc/47/00/57/487470057.db2.gz DPSIXARYQVDMII-CRAIPNDOSA-N -1 3 374.349 0.883 40 0 FCABHM Cc1cc(CN2CC[C@@]3(Cc4c(nc(N)nc4N)O3)C2)cc(C(=O)[O-])c1O ZINC000257322018 488526084 /nfs/dbraw/zinc/52/60/84/488526084.db2.gz WEHJBDGOFJHVND-GOSISDBHSA-N -1 3 371.397 0.933 40 0 FCABHM CN1C[C@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CCN2C[C@@H](C(=O)[O-])C1 ZINC000096064116 209106731 /nfs/dbraw/zinc/10/67/31/209106731.db2.gz ZOGJLSPFHMPGFU-HOTGVXAUSA-N -1 3 356.426 0.941 40 0 FCABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCOCC1 ZINC000041248421 487820882 /nfs/dbraw/zinc/82/08/82/487820882.db2.gz NXBZYTQLHIAWBW-JTQLQIEISA-N -1 3 362.835 0.874 40 0 FCABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(C(=O)c2cc[nH]n2)C3)C[C@H](C)O1 ZINC000072346964 488379577 /nfs/dbraw/zinc/37/95/77/488379577.db2.gz PHWISCQCZPTXAU-QWRGUYRKSA-N -1 3 358.402 0.305 40 0 FCABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccn[nH]2)C3)C[C@H](C)O1 ZINC000072346964 488379578 /nfs/dbraw/zinc/37/95/78/488379578.db2.gz PHWISCQCZPTXAU-QWRGUYRKSA-N -1 3 358.402 0.305 40 0 FCABHM CN(C)S(=O)(=O)N1CCC[C@@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377835 488379778 /nfs/dbraw/zinc/37/97/78/488379778.db2.gz PCKLNKYITJDPDM-GFCCVEGCSA-N -1 3 363.447 0.996 40 0 FCABHM CN1C[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CCN2C[C@@H](C(=O)[O-])C1 ZINC000248165645 488494294 /nfs/dbraw/zinc/49/42/94/488494294.db2.gz ZOGJLSPFHMPGFU-JKSUJKDBSA-N -1 3 356.426 0.941 40 0 FCABHM Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257242952 488524071 /nfs/dbraw/zinc/52/40/71/488524071.db2.gz IEWWZIZZGMGRSP-CQSZACIVSA-N -1 3 359.430 0.793 40 0 FCABHM Cc1c(CCC(=O)N2CCOC[C@@H](Cc3cc(=O)[n-]cn3)C2)cnn1C ZINC000257304912 488525512 /nfs/dbraw/zinc/52/55/12/488525512.db2.gz SNPYFBRTFLQQQY-AWEZNQCLSA-N -1 3 359.430 0.874 40 0 FCABHM O=C(NCc1ccccc1)N1C[C@H]2[N-]S(=O)(=O)c3cccnc3O[C@H]2C1 ZINC000514290319 490768791 /nfs/dbraw/zinc/76/87/91/490768791.db2.gz XPEASYIUNZZRIV-KGLIPLIRSA-N -1 3 374.422 0.715 40 0 biogenic,in-vitro FCABHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CCN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)C2 ZINC000100164413 209210929 /nfs/dbraw/zinc/21/09/29/209210929.db2.gz VTGFZYHHZDEXDS-BETUJISGSA-N -1 3 372.425 0.528 40 0 FCABHM CCOP(=O)(CS(=O)(=O)CC[C@@]1(C)NC(=O)[N-]C1=O)OCC ZINC000005759237 207116252 /nfs/dbraw/zinc/11/62/52/207116252.db2.gz DEKGHSQXNZJMJD-LLVKDONJSA-N -1 3 356.337 0.613 40 0 FCABHM COCC(=O)[N-]n1c(C)cc2c(cnc3nc(C(F)(F)F)nn32)c1=O ZINC000038784038 208205843 /nfs/dbraw/zinc/20/58/43/208205843.db2.gz YYULOAJACBLMNU-UHFFFAOYSA-N -1 3 356.264 0.483 40 0 FCABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCCCO ZINC000408610868 230013331 /nfs/dbraw/zinc/01/33/31/230013331.db2.gz UUZHUAVXYFSFOP-VIFPVBQESA-N -1 3 350.824 0.514 40 0 FCABHM Cc1nccn1CC(=O)N1CCC[C@H](c2[n-]ncc2S(C)(=O)=O)C1 ZINC000257229608 488523302 /nfs/dbraw/zinc/52/33/02/488523302.db2.gz FYSZUFIIWALDCY-LBPRGKRZSA-N -1 3 351.432 0.724 40 0 FCABHM Cc1nccn1CC(=O)N1CCC[C@H](c2n[n-]cc2S(C)(=O)=O)C1 ZINC000257229608 488523304 /nfs/dbraw/zinc/52/33/04/488523304.db2.gz FYSZUFIIWALDCY-LBPRGKRZSA-N -1 3 351.432 0.724 40 0 FCABHM CC(=O)N1CCC[C@H]1c1cncc(C[N-]S(=O)(=O)c2cn[nH]c2)n1 ZINC000257281594 488524918 /nfs/dbraw/zinc/52/49/18/488524918.db2.gz OQAVGTWBJACVNM-AWEZNQCLSA-N -1 3 350.404 0.362 40 0 FCABHM CC(=O)N1CCC(O)(CN2CCO[C@@H](c3cc(=O)[n-]c(C)n3)C2)CC1 ZINC000257302554 488525402 /nfs/dbraw/zinc/52/54/02/488525402.db2.gz SDIYKAQQJXIXSB-OAHLLOKOSA-N -1 3 350.419 0.237 40 0 FCABHM CN(C)C(=O)COCC[C@H]1CO[C@H]2CN(C(=O)c3cccc([O-])c3)C[C@@H]12 ZINC000575405126 491552623 /nfs/dbraw/zinc/55/26/23/491552623.db2.gz SEYVEXIYOMDFCI-XIRDDKMYSA-N -1 3 362.426 0.974 40 0 FCABHM O=C1[C@H]2CCCN2C(=O)[C@@H]2C[C@@H]([N-]S(=O)(=O)c3cccs3)CCN12 ZINC000015709356 220161642 /nfs/dbraw/zinc/16/16/42/220161642.db2.gz GQWLMLXHIQFTMV-TUAOUCFPSA-N -1 3 369.468 0.391 40 0 biogenic,in-vitro FCABHM CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC000257230125 533466371 /nfs/dbraw/zinc/46/63/71/533466371.db2.gz 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O=C(Cc1ccccn1)N1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000012134642 487549446 /nfs/dbraw/zinc/54/94/46/487549446.db2.gz WNVYNSMJKUXRHH-CQSZACIVSA-N -1 3 369.425 0.972 40 0 FCABHM CCc1nn(C)c(C(=O)NCc2cc(=O)[n-]c(N3CCOCC3)n2)c1C ZINC000019521065 487604148 /nfs/dbraw/zinc/60/41/48/487604148.db2.gz VCSKXIFYCWCMCF-UHFFFAOYSA-N -1 3 360.418 0.141 40 0 FCABHM Cc1nnc(SCc2cc(=O)[n-]c(N3CCN(CCO)CC3)n2)s1 ZINC000024252122 487643724 /nfs/dbraw/zinc/64/37/24/487643724.db2.gz RQFMHPZFPSZPHH-UHFFFAOYSA-N -1 3 368.488 0.336 40 0 FCABHM C[C@@H](O)[C@H]1C(=O)N2[C@@H]1C(SC1CN(C3=NCCC3)C1)=C[C@@H]2C(=O)[O-] ZINC000230469120 488452601 /nfs/dbraw/zinc/45/26/01/488452601.db2.gz FJTCBOGMELPARL-KNJXUWEQSA-N -1 3 351.428 0.155 40 0 FCABHM CN1CC2(CN(C(=O)c3cccc([O-])c3)C2)OC[C@H]1C(=O)NC1CCCC1 ZINC000585094407 571220240 /nfs/dbraw/zinc/22/02/40/571220240.db2.gz CACNSCOMWDDROV-KRWDZBQOSA-N -1 3 373.453 0.976 40 0 FCABHM CCc1nccn1CC(=O)N1CC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1 ZINC000257214991 529759989 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359.386 0.958 40 0 FCABHM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=N)NC(=N)N)cc2)c1C ZINC000004809422 487482545 /nfs/dbraw/zinc/48/25/45/487482545.db2.gz ORMCJUYTRHMMPH-UHFFFAOYSA-N -1 3 351.392 0.922 40 0 FCABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(C(=O)c2cc[nH]n2)C3)C[C@@H](C)O1 ZINC000072346965 488379592 /nfs/dbraw/zinc/37/95/92/488379592.db2.gz PHWISCQCZPTXAU-GHMZBOCLSA-N -1 3 358.402 0.305 40 0 FCABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccn[nH]2)C3)C[C@@H](C)O1 ZINC000072346965 488379593 /nfs/dbraw/zinc/37/95/93/488379593.db2.gz PHWISCQCZPTXAU-GHMZBOCLSA-N -1 3 358.402 0.305 40 0 FCABHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-][C@H]3C[C@H]4CCCCN4C3=O)cc2o1 ZINC000518136127 490931185 /nfs/dbraw/zinc/93/11/85/490931185.db2.gz IDYIVEXINGSRDE-KCJUWKMLSA-N -1 3 369.374 0.692 40 0 FCABHM Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H](C(=O)[O-])C2CC2)CC1 ZINC000567241631 491493829 /nfs/dbraw/zinc/49/38/29/491493829.db2.gz BYLKEYSVSZFXBA-ZDUSSCGKSA-N -1 3 357.432 0.851 40 0 FCABHM 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FCABHM CSCSC[C@H](CO)NC(=O)C(C)=Cc1c(C)[nH]c(=O)[n-]c1=O ZINC000001743871 487470087 /nfs/dbraw/zinc/47/00/87/487470087.db2.gz PHNDAAHKXMCWTN-PENHIPQLSA-N -1 3 359.473 0.306 40 0 FCABHM COc1cc([C@H](O)[C@]2(c3ccc(O)c(OC)c3)NC(=O)[N-]C2=O)ccc1O ZINC000001681735 487470115 /nfs/dbraw/zinc/47/01/15/487470115.db2.gz DPSIXARYQVDMII-YJBOKZPZSA-N -1 3 374.349 0.883 40 0 FCABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCN2CCOCC2)cc1Cl ZINC000038771669 487808778 /nfs/dbraw/zinc/80/87/78/487808778.db2.gz LYHIUSAQORZEMV-UHFFFAOYSA-N -1 3 361.851 0.774 40 0 FCABHM Cc1[n-][nH]c(=O)c1CCC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2 ZINC000100786835 488494526 /nfs/dbraw/zinc/49/45/26/488494526.db2.gz IOKJGFSPECOPRH-CYBMUJFWSA-N -1 3 364.427 0.849 40 0 FCABHM O=S(=O)([N-]N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000575425650 491553984 /nfs/dbraw/zinc/55/39/84/491553984.db2.gz VTZHHYYYAAUPJO-ZETCQYMHSA-N -1 3 359.256 0.963 40 0 FCABHM O=C(c1c[nH]c(=O)[n-]c1=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257247323 534767664 /nfs/dbraw/zinc/76/76/64/534767664.db2.gz IYLOSZZQTKEVDS-CQSZACIVSA-N -1 3 358.345 0.196 40 0 FCABHM Cc1nn(C)cc1CCC(=O)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257344790 534832902 /nfs/dbraw/zinc/83/29/02/534832902.db2.gz ZYRJDQICQGEABR-CQSZACIVSA-N -1 3 359.430 0.874 40 0 FCABHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O ZINC000257270647 526486523 /nfs/dbraw/zinc/48/65/23/526486523.db2.gz MVBSGWIPYHGSRI-GWOFURMSSA-N -1 3 359.354 0.038 40 0 FCABHM CCN(CC)S(=O)(=O)N1CC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1 ZINC000257265521 528213795 /nfs/dbraw/zinc/21/37/95/528213795.db2.gz LYZSIDNCLPMPBB-SNVBAGLBSA-N -1 3 350.466 0.189 40 0 FCABHM CCN(CC)S(=O)(=O)N1CC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1 ZINC000257265521 528213799 /nfs/dbraw/zinc/21/37/99/528213799.db2.gz LYZSIDNCLPMPBB-SNVBAGLBSA-N -1 3 350.466 0.189 40 0 FCABHM O=S(=O)([N-][C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccccc1F ZINC000257244537 223034677 /nfs/dbraw/zinc/03/46/77/223034677.db2.gz ILUMKGNFNDNHIE-IIAWOOMASA-N -1 3 358.435 0.718 40 0 FCABHM COc1ccc(S(=O)(=O)NCc2cc(=O)[n-]c(N3CCCC3)n2)cc1 ZINC000019557173 533063497 /nfs/dbraw/zinc/06/34/97/533063497.db2.gz PJHLFKOHHAPKFC-UHFFFAOYSA-N -1 3 364.427 0.857 40 0 FCABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2nccn2C)C3)C[C@H](C)O1 ZINC000072335575 136144496 /nfs/dbraw/zinc/14/44/96/136144496.db2.gz HFWHTIYKUNDYOP-BETUJISGSA-N -1 3 358.446 0.675 40 0 FCABHM COc1ccc(N2C(=O)C[C@@H](SC[C@@H](N)C(=O)[O-])C2=O)c(OC)c1 ZINC000101273526 222265967 /nfs/dbraw/zinc/26/59/67/222265967.db2.gz DLULGAGNMZEQBH-BXKDBHETSA-N -1 3 354.384 0.481 40 0 FCABHM COCCN1C[C@@H]2CN(Cc3nccs3)CCN2C[C@H](C(=O)[O-])C1 ZINC000107200981 222392494 /nfs/dbraw/zinc/39/24/94/222392494.db2.gz SWEZBDRSURKTGQ-KGLIPLIRSA-N -1 3 354.476 0.292 40 0 FCABHM CSCSC[C@@H](CO)NC(=O)C(C)=Cc1c(C)[nH]c(=O)[n-]c1=O ZINC000001743875 487470054 /nfs/dbraw/zinc/47/00/54/487470054.db2.gz PHNDAAHKXMCWTN-NAXAJZLFSA-N -1 3 359.473 0.306 40 0 FCABHM O=C1[N-]C(=O)[C@](Cc2ccc(N(CCO)CCO)cc2)(c2ccccc2)N1 ZINC000001685193 487470141 /nfs/dbraw/zinc/47/01/41/487470141.db2.gz NONYFTYHNZJDQV-FQEVSTJZSA-N -1 3 369.421 0.755 40 0 FCABHM O=S1(=O)[N-][C@@H]2CN(Cc3ccncc3F)C[C@@H]2Oc2ncccc21 ZINC000514289315 490769069 /nfs/dbraw/zinc/76/90/69/490769069.db2.gz HZQWOMARIFSWLV-OLZOCXBDSA-N -1 3 350.375 0.539 40 0 biogenic,in-vitro FCABHM Cc1nc([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)cc(=O)[n-]1 ZINC000257281456 534501593 /nfs/dbraw/zinc/50/15/93/534501593.db2.gz OPGCAHXEESBYGT-MRXNPFEDSA-N -1 3 357.414 0.918 40 0 FCABHM COC(=O)NC1(NC(=O)OC)[N-]c2cc(OC)c(OC)cc2C(=O)N1 ZINC000001607873 546508190 /nfs/dbraw/zinc/50/81/90/546508190.db2.gz UOLOZKGRSLKSSH-UHFFFAOYSA-N -1 3 354.319 0.182 40 0 FCABHM O=C(c1cnn2cccnc12)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1 ZINC000257207320 223018245 /nfs/dbraw/zinc/01/82/45/223018245.db2.gz BHFMGMHVWCQHJG-CYBMUJFWSA-N -1 3 354.370 0.699 40 0 FCABHM Cn1cc(S(=O)(=O)[N-]c2ccccc2Br)c(=O)n(C)c1=O ZINC000012647518 220015792 /nfs/dbraw/zinc/01/57/92/220015792.db2.gz YIVRMPIZIOMABC-UHFFFAOYSA-N -1 3 374.216 0.647 40 0 FCABHM O=c1cc(CCn2ncc3c2CCCC3)nc(NCCN2CCOCC2)[n-]1 ZINC000019291987 220246386 /nfs/dbraw/zinc/24/63/86/220246386.db2.gz YIZJWNDQJBVDMF-UHFFFAOYSA-N -1 3 372.473 0.832 40 0 FCABHM CCc1cc(C(=O)N[C@@H](C)c2cnn(C)c2C)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019714556 220288133 /nfs/dbraw/zinc/28/81/33/220288133.db2.gz UTUGLPMOZZXEOH-VIFPVBQESA-N -1 3 370.413 0.717 40 0 FCABHM COCCNc1nc(Cn2nc(OC)c3ccccc3c2=O)cc(=O)[n-]1 ZINC000019717473 220290457 /nfs/dbraw/zinc/29/04/57/220290457.db2.gz RQUMOHQVHFVXRD-UHFFFAOYSA-N -1 3 357.370 0.595 40 0 FCABHM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC000257299033 533466822 /nfs/dbraw/zinc/46/68/22/533466822.db2.gz ROKKJCRBGMQRCY-GFCCVEGCSA-N -1 3 351.432 0.806 40 0 FCABHM CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC000257299033 533466825 /nfs/dbraw/zinc/46/68/25/533466825.db2.gz ROKKJCRBGMQRCY-GFCCVEGCSA-N -1 3 351.432 0.806 40 0 FCABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2nccn2C)C3)C[C@H](C)O1 ZINC000072335576 136144437 /nfs/dbraw/zinc/14/44/37/136144437.db2.gz HFWHTIYKUNDYOP-STQMWFEESA-N -1 3 358.446 0.675 40 0 FCABHM CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000100773990 222252853 /nfs/dbraw/zinc/25/28/53/222252853.db2.gz BLKNOEDDSJAVEH-RVMXOQNASA-N -1 3 359.492 0.579 40 0 FCABHM CC(C)=C1N=C2[N-]C(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)N2N1 ZINC000101772259 222284378 /nfs/dbraw/zinc/28/43/78/222284378.db2.gz KBRRQZLNWMMCRK-LLVKDONJSA-N -1 3 357.370 0.712 40 0 FCABHM CCCCSC[C@H](NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O)C(=O)OC ZINC000001735211 487470020 /nfs/dbraw/zinc/47/00/20/487470020.db2.gz DMGBMAFCALOMMR-SYTKJHMZSA-N -1 3 369.443 0.576 40 0 FCABHM Cc1nc(N2CCC(NC(=O)c3cnn4cccnc34)CC2)[n-]c(=O)c1C ZINC000012146192 487549731 /nfs/dbraw/zinc/54/97/31/487549731.db2.gz SYCPJKRTBFXJOL-UHFFFAOYSA-N -1 3 367.413 0.828 40 0 FCABHM CCn1cc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cn1 ZINC000019524992 487604549 /nfs/dbraw/zinc/60/45/49/487604549.db2.gz WFADINPYCGUDQI-UHFFFAOYSA-N -1 3 358.446 0.836 40 0 FCABHM