smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[C@@H](C)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000003976481 562940271 /nfs/dbraw/zinc/94/02/71/562940271.db2.gz CTAGDTXGSWYTEE-SXCAWEJJSA-N 0 0 446.496 4.409 1 10 IICFRN CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c21 ZINC000006003027 562945627 /nfs/dbraw/zinc/94/56/27/562945627.db2.gz CCNILPFRYYKQOP-UHFFFAOYSA-N 0 0 438.344 4.158 1 10 IICFRN CC(=O)O[C@H]1C(=O)C(=O)c2c(O)c(Br)c(C)cc2[C@H]2[C@@H](C(C)C)CC[C@]21C ZINC000015267060 563017747 /nfs/dbraw/zinc/01/77/47/563017747.db2.gz RIFRKOGZXWRBEW-FSKQDFAOSA-N 0 0 437.330 4.316 1 10 IICFRN CCN(CC)c1ccc(OS(=O)(=O)c2ccc(C)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000034144188 563085649 /nfs/dbraw/zinc/08/56/49/563085649.db2.gz BUPGWOVDNNLYPT-UHFFFAOYSA-N 0 0 449.528 4.384 1 10 IICFRN CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000045302103 563129362 /nfs/dbraw/zinc/12/93/62/563129362.db2.gz SENCZOBTDUBUTI-UHFFFAOYSA-N 0 0 445.855 4.089 1 10 IICFRN COc1ccc(N2CCN(c3nccc(Nc4cc(C(C)(C)C)nn4C)n3)CC2(C)C)cc1 ZINC000053193528 563141121 /nfs/dbraw/zinc/14/11/21/563141121.db2.gz VAYXTORBXXYONA-UHFFFAOYSA-N 0 0 449.603 4.365 1 10 IICFRN COc1ccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)cc1 ZINC000006577896 562947967 /nfs/dbraw/zinc/94/79/67/562947967.db2.gz UCYYADVAVMODDT-UHFFFAOYSA-N 0 0 436.581 4.258 3 10 IICFRN O=C(O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1)c1ccccc1Cl ZINC000013537307 562992465 /nfs/dbraw/zinc/99/24/65/562992465.db2.gz XABTYWHHSKRZDS-QUCCMNQESA-N 0 0 428.824 4.064 1 10 IICFRN COc1cc2c3c(n(Cc4ccccc4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000013652362 562999342 /nfs/dbraw/zinc/99/93/42/562999342.db2.gz FFHRKNJYASWDCJ-UHFFFAOYSA-N 0 0 441.439 4.007 1 10 IICFRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CN1CCN(c2ccccc2Cl)CC1 ZINC000026163831 563029296 /nfs/dbraw/zinc/02/92/96/563029296.db2.gz USWUKLMQYPAGDT-DEOSSOPVSA-N 0 0 442.003 4.224 1 10 IICFRN CO[C@@]12C(=C(C3CC3)C1c1ccc(OC(C)=O)c3ncccc13)C(=O)c1ccccc1C2=O ZINC000096934554 563199299 /nfs/dbraw/zinc/19/92/99/563199299.db2.gz SVYROGRKUVXSAG-WNCULLNHSA-N 0 0 439.467 4.418 1 10 IICFRN O=C1O[C@@H](c2cccc3ccccc32)Cc2c1c(O)cc1c2C(=O)c2c(O)cccc2C1=O ZINC000028825676 563066327 /nfs/dbraw/zinc/06/63/27/563066327.db2.gz YQLQTCGKVVUNGD-OAQYLSRUSA-N 0 0 436.419 4.481 1 10 IICFRN CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc([O-])c(C[NH3+])c2)c(Cl)c1Cl ZINC000029341417 563078433 /nfs/dbraw/zinc/07/84/33/563078433.db2.gz UCWBZRKGWNDOST-UHFFFAOYSA-N 0 0 426.296 4.109 1 10 IICFRN CN(C)c1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1 ZINC000064539066 563154971 /nfs/dbraw/zinc/15/49/71/563154971.db2.gz GCENOGXZTZFPPD-UHFFFAOYSA-N 0 0 449.507 4.223 1 10 IICFRN CCOCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1 ZINC000096929428 563198565 /nfs/dbraw/zinc/19/85/65/563198565.db2.gz LPPDAORDPPLCDU-UHFFFAOYSA-N 0 0 448.107 4.161 1 10 IICFRN CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(O)c-3c1=O)C[C@@H](C(C)(C)O)O2 ZINC000014695765 563014830 /nfs/dbraw/zinc/01/48/30/563014830.db2.gz YOKJEIDBLPWOSL-IBGZPJMESA-N 0 0 438.476 4.160 1 10 in-vitro IICFRN COc1cccc2c1nc1cc([N+](=O)[O-])ccc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000026841872 563037497 /nfs/dbraw/zinc/03/74/97/563037497.db2.gz XGPDPHHZIFRVCA-UHFFFAOYSA-N 0 0 438.465 4.420 1 10 IICFRN COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2C(=O)c2ccncc2)c(OC)c1OC ZINC000035013078 563088775 /nfs/dbraw/zinc/08/87/75/563088775.db2.gz PETDZKZTNGLKHQ-FQEVSTJZSA-N 0 0 447.491 4.113 1 10 IICFRN O=C(/N=N/c1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccc(Cl)cc1 ZINC000040934554 563112454 /nfs/dbraw/zinc/11/24/54/563112454.db2.gz SEEXEHQCHCZJFH-BYYHNAKLSA-N 0 0 438.879 4.421 1 10 IICFRN CCN(CC)c1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1 ZINC000058576021 563144854 /nfs/dbraw/zinc/14/48/54/563144854.db2.gz OWNZKVSBQKCDFJ-OAQYLSRUSA-N 0 0 425.529 4.256 1 10 IICFRN O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N2CCCC2)cc1 ZINC000095572905 563184935 /nfs/dbraw/zinc/18/49/35/563184935.db2.gz DCQCBJYZWOJKND-UHFFFAOYSA-N 0 0 427.548 4.003 1 10 IICFRN CC[C@@H]1N[C@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O ZINC000022198764 563025501 /nfs/dbraw/zinc/02/55/01/563025501.db2.gz OBJIVGDTIWTEFE-RHRUAYILSA-N 0 0 428.382 4.258 1 10 IICFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1cccc2[N+](=O)[O-] ZINC000026939233 563037967 /nfs/dbraw/zinc/03/79/67/563037967.db2.gz HQCQBWGAGNRHBM-UHFFFAOYSA-N 0 0 438.465 4.420 1 10 IICFRN Cc1cc([C@H](NC(=O)COc2ccccc2)c2cccc([N+](=O)[O-])c2)c(O)c2ncccc12 ZINC000040918415 563111784 /nfs/dbraw/zinc/11/17/84/563111784.db2.gz JSDDRNJWKMWYJP-HSZRJFAPSA-N 0 0 443.459 4.442 1 10 IICFRN Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OCc1cc(F)c(F)c(F)c1)C2 ZINC000049050380 563136873 /nfs/dbraw/zinc/13/68/73/563136873.db2.gz HXEMBMBXNRXMHN-RBBKRZOGSA-N 0 0 434.366 4.188 1 10 IICFRN COc1cccc(-c2cc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)no2)c1 ZINC000071282297 563161530 /nfs/dbraw/zinc/16/15/30/563161530.db2.gz RISYHKUHNQHYMW-QFIPXVFZSA-N 0 0 440.459 4.442 1 10 IICFRN COc1ccc([C@@H]2NC(c3ccc4c(c3)OCO4)=C[C@H](c3ccccc3O)N2)cc1OC ZINC000002934289 562930694 /nfs/dbraw/zinc/93/06/94/562930694.db2.gz FMWRDRMIUJQLSK-KBMIEXCESA-N 0 0 432.476 4.112 1 10 IICFRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CN1CCN(c2ccccc2Cl)CC1 ZINC000026163838 563029283 /nfs/dbraw/zinc/02/92/83/563029283.db2.gz USWUKLMQYPAGDT-XMMPIXPASA-N 0 0 442.003 4.224 1 10 IICFRN O=C(/C=C/c1ccc(N2CCc3cc(O)ccc3[C@@H]2c2ccccc2)cc1)N1CCOCC1 ZINC000026657418 563034928 /nfs/dbraw/zinc/03/49/28/563034928.db2.gz AOQCXARLJLESBQ-OEGMZDAKSA-N 0 0 440.543 4.416 1 10 IICFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cccc([N+](=O)[O-])c21 ZINC000026839616 563037406 /nfs/dbraw/zinc/03/74/06/563037406.db2.gz NDYSUFRPTCFZPO-UHFFFAOYSA-N 0 0 438.465 4.420 1 10 IICFRN COc1ccc([C@H](NC(=O)COc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040891738 563109876 /nfs/dbraw/zinc/10/98/76/563109876.db2.gz VFNLOGJXHYZRPQ-QFIPXVFZSA-N 0 0 449.894 4.282 1 10 IICFRN O=C(COc1cccnc1)N[C@@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O ZINC000040933758 563112310 /nfs/dbraw/zinc/11/23/10/563112310.db2.gz VVEUHZMRADBOCX-NRFANRHFSA-N 0 0 437.858 4.413 1 10 IICFRN COc1ccc(C(=O)n2c3ccccc3c3c2[C@@H]2N(C)c4ccccc4C(=O)N2CC3)cc1 ZINC000064436954 563153041 /nfs/dbraw/zinc/15/30/41/563153041.db2.gz UXBCZOWHEVFCPP-RUZDIDTESA-N 0 0 437.499 4.485 1 10 IICFRN CC(C)=CCc1c2c(c3c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O3)C[C@@H](C(C)(C)O)O2 ZINC000038991931 291379287 /nfs/dbraw/zinc/37/92/87/291379287.db2.gz FMVFFMVMWVSZRC-PMACEKPBSA-N 0 0 440.492 4.093 1 10 biogenic,in-vitro IICFRN COc1cc(CCC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCCC2)ccc1O ZINC000085626298 291382543 /nfs/dbraw/zinc/38/25/43/291382543.db2.gz NGXSNYVAZPGPNZ-FQEVSTJZSA-N 0 0 428.525 4.357 1 10 biogenic,in-vitro IICFRN Oc1ccc(Cl)cc1C1=Nn2c(COc3ccc4c(c3)CCCC4)nnc2SC1 ZINC000006041127 562946092 /nfs/dbraw/zinc/94/60/92/562946092.db2.gz NHCROEAXFXFFMC-UHFFFAOYSA-N 0 0 426.929 4.453 1 10 IICFRN CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(O)c-3c1=O)C[C@H](C(C)(C)O)O2 ZINC000014695767 563014780 /nfs/dbraw/zinc/01/47/80/563014780.db2.gz YOKJEIDBLPWOSL-LJQANCHMSA-N 0 0 438.476 4.160 1 10 in-vitro IICFRN CC[C@@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 ZINC000026166429 563029392 /nfs/dbraw/zinc/02/93/92/563029392.db2.gz MQAZMXBBLMPTKM-DVECYGJZSA-N 0 0 435.612 4.448 1 10 IICFRN COc1ccc(NC(=S)N2N=C(c3ccc(O)cc3O)C[C@H]2c2ccc(O)cc2)cc1 ZINC000029044411 563072456 /nfs/dbraw/zinc/07/24/56/563072456.db2.gz FFTLDDJXCOXDAJ-NRFANRHFSA-N 0 0 435.505 4.360 1 10 IICFRN CCOC(=O)C1=C(COCCN=[N+]=[N-])NC(C)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000029410741 563079807 /nfs/dbraw/zinc/07/98/07/563079807.db2.gz ATZNDGLAPVZOKU-QTIQAUKSSA-N 0 0 434.880 4.458 1 10 IICFRN O=c1oc(-c2ccc(C(F)(F)F)cc2-n2ccnc2)nn1Cc1cc(Cl)ccc1O ZINC000035242381 563089561 /nfs/dbraw/zinc/08/95/61/563089561.db2.gz WABFQTRUZJUTES-UHFFFAOYSA-N 0 0 436.777 4.115 1 10 IICFRN COc1ccc(C(=O)n2c3ccccc3c3c2[C@H]2N(C)c4ccccc4C(=O)N2CC3)cc1 ZINC000064436956 563153047 /nfs/dbraw/zinc/15/30/47/563153047.db2.gz UXBCZOWHEVFCPP-VWLOTQADSA-N 0 0 437.499 4.485 1 10 IICFRN O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3cccc(Br)c3)c12 ZINC000072176114 563165575 /nfs/dbraw/zinc/16/55/75/563165575.db2.gz BGIMDYQSIUXGAT-UHFFFAOYSA-N 0 0 429.222 4.405 1 10 IICFRN CN1OC[C@@H]2CN(C(=O)NC3CCCCC3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000095570674 563184339 /nfs/dbraw/zinc/18/43/39/563184339.db2.gz LGLGFICHKBTEMV-OYDLWJJNSA-N 0 0 426.605 4.328 3 10 IICFRN CC[C@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 ZINC000026166424 563029335 /nfs/dbraw/zinc/02/93/35/563029335.db2.gz MQAZMXBBLMPTKM-YADARESESA-N 0 0 435.612 4.448 1 10 IICFRN COc1cc2c(cc1OC)n(Cc1ccc(N)cc1)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000034841569 563088191 /nfs/dbraw/zinc/08/81/91/563088191.db2.gz QTBPLVMXVRTFIZ-UHFFFAOYSA-N 0 0 428.488 4.189 1 10 IICFRN COc1cc(O)ccc1S(=O)(=O)Nc1ccc(O)c(-c2c(O)ccc3ccccc32)c1 ZINC000040916200 563111416 /nfs/dbraw/zinc/11/14/16/563111416.db2.gz BOUSUECCXOWJBT-UHFFFAOYSA-N 0 0 437.473 4.433 1 10 IICFRN O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccc(Br)cc3)c12 ZINC000072176833 563165803 /nfs/dbraw/zinc/16/58/03/563165803.db2.gz JFTVUTWMKJLSFJ-UHFFFAOYSA-N 0 0 429.222 4.405 1 10 IICFRN COc1ccc(N2CC[NH2+][C@@H](C)C2)cc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC000095598594 563192196 /nfs/dbraw/zinc/19/21/96/563192196.db2.gz VDPOPYFAETYXQK-INIZCTEOSA-N 0 0 443.594 4.023 1 10 IICFRN CC(C)n1cnc2c1nc(NC1CCC(O)CC1)nc2NCc1cc(Cl)ccc1O ZINC000095603478 563193490 /nfs/dbraw/zinc/19/34/90/563193490.db2.gz CKBQQVRNWKMAPJ-UHFFFAOYSA-N 0 0 430.940 4.094 1 10 IICFRN O=C1C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000003953340 132268366 /nfs/dbraw/zinc/26/83/66/132268366.db2.gz LEAVOABWLLTKQR-UHFFFAOYSA-N 0 0 428.404 4.091 1 10 IICFRN O=C1c2cccc(Sc3ncccn3)c2C(=O)c2cccc(Sc3ncccn3)c21 ZINC000013558873 562993711 /nfs/dbraw/zinc/99/37/11/562993711.db2.gz KGRRARVNOWUUPM-UHFFFAOYSA-N 0 0 428.498 4.344 1 10 IICFRN COc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccc(O)cc1 ZINC000040394596 563100482 /nfs/dbraw/zinc/10/04/82/563100482.db2.gz CHTBUJDZXVYAAY-HXUWFJFHSA-N 0 0 435.505 4.360 1 10 IICFRN Cc1c(C(=O)N(C)C(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000040899601 563110831 /nfs/dbraw/zinc/11/08/31/563110831.db2.gz SHTINMMAYQAQJE-UHFFFAOYSA-N 0 0 445.972 4.234 1 10 IICFRN Nc1ccc(NC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc5c(c4)OCO5)n[nH]c2-3)cc1 ZINC000029038483 563071708 /nfs/dbraw/zinc/07/17/08/563071708.db2.gz ZXNFACJZSMSYCK-UHFFFAOYSA-N 0 0 439.431 4.243 1 10 IICFRN CC(C)=CCc1c2c(c3c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O3)C[C@H](C(C)(C)O)O2 ZINC000038991932 291379296 /nfs/dbraw/zinc/37/92/96/291379296.db2.gz FMVFFMVMWVSZRC-VQTJNVASSA-N 0 0 440.492 4.093 1 10 biogenic,in-vitro IICFRN COC(=O)c1c2c(ccc1O)n(CCc1ccccc1)c1c2C(=O)c2ccccc2C1=O ZINC000001663093 562924387 /nfs/dbraw/zinc/92/43/87/562924387.db2.gz JSXOGZUQZKVLMN-UHFFFAOYSA-N 0 0 425.440 4.152 1 10 IICFRN COc1ccc([C@@H]2NC(c3ccc4c(c3)OCO4)=C[C@@H](c3ccccc3O)N2)cc1OC ZINC000002934292 562930785 /nfs/dbraw/zinc/93/07/85/562930785.db2.gz FMWRDRMIUJQLSK-UQBPGWFLSA-N 0 0 432.476 4.112 1 10 IICFRN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2cccc(S(N)(=O)=O)c2)o1 ZINC000040810633 563106945 /nfs/dbraw/zinc/10/69/45/563106945.db2.gz HCXHHOYIVDZZKZ-BKUYFWCQSA-N 0 0 435.505 4.017 1 10 IICFRN COCCn1nc(C(=O)c2ccccc2NCc2ccc3c[nH]nc3c2)c2ccccc21 ZINC000040896122 563110407 /nfs/dbraw/zinc/11/04/07/563110407.db2.gz NXXTWHUWQHEIKP-UHFFFAOYSA-N 0 0 425.492 4.402 1 10 IICFRN COc1ccc(N2CCN(C(=O)c3[nH]c(C(F)(F)F)nc3-c3ccccc3)CC2)cc1 ZINC000073387394 563172712 /nfs/dbraw/zinc/17/27/12/563172712.db2.gz DZABUUQKJLGNOD-UHFFFAOYSA-N 0 0 430.430 4.067 3 10 IICFRN COc1ccc(N2CCN(C(=O)c3cc(C)nc4c3c(C)nn4-c3ccccc3)CC2)cc1 ZINC000009611553 132323468 /nfs/dbraw/zinc/32/34/68/132323468.db2.gz OVRXLSPLKPBMHE-UHFFFAOYSA-N 0 0 441.535 4.008 1 10 IICFRN O=C1O[C@H](c2cccc3ccccc32)Cc2c1c(O)cc1c2C(=O)c2c(O)cccc2C1=O ZINC000028825675 563066362 /nfs/dbraw/zinc/06/63/62/563066362.db2.gz YQLQTCGKVVUNGD-NRFANRHFSA-N 0 0 436.419 4.481 1 10 IICFRN COc1cc([C@@H]2CC(c3ccc(O)cc3O)=NN2C(=S)Nc2ccccc2)ccc1O ZINC000029044224 563072417 /nfs/dbraw/zinc/07/24/17/563072417.db2.gz ZPMBKMQFORSZLP-IBGZPJMESA-N 0 0 435.505 4.360 1 10 IICFRN COc1cc([C@H]2CC(c3ccc(O)cc3O)=NN2C(=S)Nc2ccccc2)ccc1O ZINC000040394864 563100579 /nfs/dbraw/zinc/10/05/79/563100579.db2.gz ZPMBKMQFORSZLP-LJQANCHMSA-N 0 0 435.505 4.360 1 10 IICFRN Nc1ccc(CCn2cnc3c2nc(NC2CCCC2)nc3Nc2cccc(N)c2)cc1 ZINC000040936300 563112845 /nfs/dbraw/zinc/11/28/45/563112845.db2.gz QFINOOZHAIOOFY-UHFFFAOYSA-N 0 0 428.544 4.332 1 10 IICFRN CCN(CC)c1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1 ZINC000064353912 563152653 /nfs/dbraw/zinc/15/26/53/563152653.db2.gz OWNZKVSBQKCDFJ-NRFANRHFSA-N 0 0 425.529 4.256 1 10 IICFRN Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000096271189 563196727 /nfs/dbraw/zinc/19/67/27/563196727.db2.gz IKUBVDMXSRATRQ-UHFFFAOYSA-N 0 0 440.569 4.160 1 10 IICFRN CO[C@@]12C(=C(C3CC3)C1c1ccc(OC(C)=O)c3ncccc13)C(=O)c1ccccc1C2=O ZINC000096934555 563199384 /nfs/dbraw/zinc/19/93/84/563199384.db2.gz SVYROGRKUVXSAG-YIXXDRMTSA-N 0 0 439.467 4.418 1 10 IICFRN COc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1OC ZINC000001344144 562921249 /nfs/dbraw/zinc/92/12/49/562921249.db2.gz KSTZOSOCOJYMGX-UHFFFAOYSA-N 0 0 438.465 4.140 3 10 IICFRN COC(=O)c1c2c(ccc1O)n(Cc1cccc(C)c1)c1c2C(=O)c2ccccc2C1=O ZINC000001663097 562924352 /nfs/dbraw/zinc/92/43/52/562924352.db2.gz UPTJZMGDBQKVTE-UHFFFAOYSA-N 0 0 425.440 4.266 1 10 IICFRN CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000015122014 563017567 /nfs/dbraw/zinc/01/75/67/563017567.db2.gz UESFDRVOHWXYIQ-PRANAVDNSA-N 0 0 440.492 4.422 1 10 IICFRN CCOC(=O)Cc1cc(-c2ccc(F)c(F)c2)n(-c2ccc(S(C)(=O)=O)cc2)c1C ZINC000028862697 563066920 /nfs/dbraw/zinc/06/69/20/563066920.db2.gz BEWBVGPOPQDTAO-UHFFFAOYSA-N 0 0 433.476 4.240 1 10 IICFRN CC1=C(CC[NH+]2CCCC2)c2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc2C1 ZINC000040918882 563111950 /nfs/dbraw/zinc/11/19/50/563111950.db2.gz QMOOEOSSTJGORU-UHFFFAOYSA-N 0 0 440.594 4.308 1 10 IICFRN Cn1ncc2c1CCc1c3c(c4cc([C@H]5CCCCO5)ccc4n3C)c3c(c1-2)C(=O)NC3 ZINC000049035192 563136230 /nfs/dbraw/zinc/13/62/30/563136230.db2.gz ULZBQUZLJDZNPA-OAQYLSRUSA-N 0 0 426.520 4.316 1 10 IICFRN O=S(=O)(Nc1ccc(O)c(CO)c1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000095585730 563188930 /nfs/dbraw/zinc/18/89/30/563188930.db2.gz VZOFZPIDNPTBKA-UHFFFAOYSA-N 0 0 434.311 4.115 1 10 IICFRN COc1ccc(N2CC[NH2+][C@H](C)C2)cc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC000095598574 563192149 /nfs/dbraw/zinc/19/21/49/563192149.db2.gz VDPOPYFAETYXQK-MRXNPFEDSA-N 0 0 443.594 4.023 1 10 IICFRN COc1ccc(NC(=S)N2N=C(c3ccc(O)cc3O)C[C@@H]2c2ccc(O)cc2)cc1 ZINC000040914056 563111165 /nfs/dbraw/zinc/11/11/65/563111165.db2.gz FFTLDDJXCOXDAJ-OAQYLSRUSA-N 0 0 435.505 4.360 1 10 IICFRN COc1ccc2c(c1)nc1cc([N+](=O)[O-])ccc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000026941634 563038014 /nfs/dbraw/zinc/03/80/14/563038014.db2.gz DKWLXRPIDGOXNI-UHFFFAOYSA-N 0 0 438.465 4.420 1 10 IICFRN O=C(COc1cccnc1)N[C@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O ZINC000040933760 563112312 /nfs/dbraw/zinc/11/23/12/563112312.db2.gz VVEUHZMRADBOCX-OAQYLSRUSA-N 0 0 437.858 4.413 1 10 IICFRN COc1ccc(N2CCN(Cn3nc(Cc4ccc(SC)cc4)oc3=S)CC2)cc1 ZINC000064447490 563153230 /nfs/dbraw/zinc/15/32/30/563153230.db2.gz VIUSKRUAKIXHCR-UHFFFAOYSA-N 0 0 442.610 4.307 1 10 IICFRN CO[C@]12C(=C(C3CC3)C1c1ccc(OC(C)=O)c3ncccc13)C(=O)c1ccccc1C2=O ZINC000096934553 563199323 /nfs/dbraw/zinc/19/93/23/563199323.db2.gz SVYROGRKUVXSAG-HOFKKMOUSA-N 0 0 439.467 4.418 1 10 IICFRN Cc1cccc(NC(=O)c2cc(C(=O)Nc3ccc(N)cc3)n(-c3ccc(N)cc3)n2)c1C ZINC000073385877 563172666 /nfs/dbraw/zinc/17/26/66/563172666.db2.gz LYUNGAJJRPYZOS-UHFFFAOYSA-N 0 0 440.507 4.158 1 10 IICFRN CCCCC[C@H](CCCO)OC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O ZINC000085592748 291381115 /nfs/dbraw/zinc/38/11/15/291381115.db2.gz WVFBPGAVNXBZAH-YWWLGCSWSA-N 0 0 428.525 4.194 1 10 biogenic,in-vitro IICFRN COc1ccc(-c2cc(CCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1 ZINC000008671947 562961015 /nfs/dbraw/zinc/96/10/15/562961015.db2.gz YAJBQUYSLXVFSB-UHFFFAOYSA-N 0 0 435.524 4.030 3 10 IICFRN COc1cc(Nc2c3ccccc3nc3c2cccc3[N+](=O)[O-])ccc1NS(C)(=O)=O ZINC000028003742 563049388 /nfs/dbraw/zinc/04/93/88/563049388.db2.gz IBXOJZIRVBBRLG-UHFFFAOYSA-N 0 0 438.465 4.420 1 10 IICFRN Cc1cc([C@@H](NC(=O)COc2ccccc2)c2cccc([N+](=O)[O-])c2)c(O)c2ncccc12 ZINC000040918416 563111787 /nfs/dbraw/zinc/11/17/87/563111787.db2.gz JSDDRNJWKMWYJP-QHCPKHFHSA-N 0 0 443.459 4.442 1 10 IICFRN Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2c(N)noc2c1 ZINC000040975403 563115298 /nfs/dbraw/zinc/11/52/98/563115298.db2.gz QSCISKQLQKLSLA-UHFFFAOYSA-N 0 0 428.492 4.474 1 10 IICFRN COc1ccc([C@H]2NC(c3ccc4c(c3)OCO4)=C[C@@H](c3ccccc3O)N2)cc1OC ZINC000002934295 562930783 /nfs/dbraw/zinc/93/07/83/562930783.db2.gz FMWRDRMIUJQLSK-DFBJGRDBSA-N 0 0 432.476 4.112 1 10 IICFRN O=C(Nc1ccccc1-c1ccnc2c1C(=O)c1c(Cl)ccnc1C2=O)C(F)(F)F ZINC000026973462 563038429 /nfs/dbraw/zinc/03/84/29/563038429.db2.gz FLQFEOXZDIDKQJ-UHFFFAOYSA-N 0 0 431.757 4.073 1 10 IICFRN Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](OCc1cc(F)c(F)c(F)c1)C2 ZINC000028386808 563054245 /nfs/dbraw/zinc/05/42/45/563054245.db2.gz HXEMBMBXNRXMHN-IFMALSPDSA-N 0 0 434.366 4.188 1 10 IICFRN COc1cc(Br)ccc1C(=O)C(=O)c1ccc(Br)cc1OC ZINC000040834788 563107161 /nfs/dbraw/zinc/10/71/61/563107161.db2.gz NLPGZVNCEWXSMN-UHFFFAOYSA-N 0 0 428.076 4.294 1 10 IICFRN COc1ccc([C@@H](NC(=O)COc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000040891739 563109908 /nfs/dbraw/zinc/10/99/08/563109908.db2.gz VFNLOGJXHYZRPQ-JOCHJYFZSA-N 0 0 449.894 4.282 1 10 IICFRN O=C(OCCCCCCCCCOC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 ZINC000049807830 563140253 /nfs/dbraw/zinc/14/02/53/563140253.db2.gz CNLXSCDIMLYWSJ-UHFFFAOYSA-N 0 0 432.469 4.254 1 10 IICFRN CC[C@H]1N[C@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O ZINC000022198769 563025446 /nfs/dbraw/zinc/02/54/46/563025446.db2.gz OBJIVGDTIWTEFE-QNFDFVDRSA-N 0 0 428.382 4.258 1 10 IICFRN CC1(C)CCC[C@](C)(O)[C@H]1Cc1c(=O)cc2oc(-c3ccc(O)c(O)c3)cc(O)c-2c1O ZINC000043069150 563118018 /nfs/dbraw/zinc/11/80/18/563118018.db2.gz IEDRNKKFHHTLRT-OFVILXPXSA-N 0 0 440.492 4.402 1 10 IICFRN CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000095568222 563183854 /nfs/dbraw/zinc/18/38/54/563183854.db2.gz DLHDOZMGPFWUQH-RNXOBYDBSA-N 0 0 433.596 4.445 3 10 IICFRN COC(=O)c1c2c(oc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1OCCN(C)C ZINC000028569313 563058804 /nfs/dbraw/zinc/05/88/04/563058804.db2.gz LAGLTBCHFAHIEE-UHFFFAOYSA-N 0 0 443.455 4.088 1 10 IICFRN CCOC(=O)C1=C(COCCN=[N+]=[N-])NC(C)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000029410739 563079835 /nfs/dbraw/zinc/07/98/35/563079835.db2.gz ATZNDGLAPVZOKU-DMEQXSTQSA-N 0 0 434.880 4.458 1 10 IICFRN COc1ccc(N2CCOCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn32)n1 ZINC000072178082 563166206 /nfs/dbraw/zinc/16/62/06/563166206.db2.gz ORHPKBJEHAMSFA-UHFFFAOYSA-N 0 0 436.903 4.034 1 10 IICFRN COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000095574318 563185251 /nfs/dbraw/zinc/18/52/51/563185251.db2.gz WTMDTSOAKKTZJP-HXUWFJFHSA-N 0 0 438.355 4.351 1 10 IICFRN COc1ccc(-n2cnc3cc(NCc4ccc(CN5CCOCC5)cc4)ccc32)cc1 ZINC000095583140 563188232 /nfs/dbraw/zinc/18/82/32/563188232.db2.gz YZKVTEZVSQYKMP-UHFFFAOYSA-N 0 0 428.536 4.478 1 10 IICFRN COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3CCCC3)c2)ccc1O ZINC000085625592 291382570 /nfs/dbraw/zinc/38/25/70/291382570.db2.gz GBPNBBGHYQKUNQ-LJQANCHMSA-N 0 0 444.524 4.019 1 10 biogenic,in-vitro IICFRN O=c1oc(-c2ccc(-n3ccnc3)c(C(F)(F)F)c2)nn1Cc1cc(Cl)ccc1O ZINC000028603966 563059638 /nfs/dbraw/zinc/05/96/38/563059638.db2.gz PLLBMGUUHCVCFL-UHFFFAOYSA-N 0 0 436.777 4.115 1 10 IICFRN CC(C)(C)OC(=O)NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2 ZINC000095556345 563181515 /nfs/dbraw/zinc/18/15/15/563181515.db2.gz VEYCNPRQAZNKGT-UHFFFAOYSA-N 0 0 449.463 4.036 1 10 IICFRN CN(C)c1ccc(CN(C)c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)cc1 ZINC000095575143 563185529 /nfs/dbraw/zinc/18/55/29/563185529.db2.gz NDRQANRDHWQSMB-UHFFFAOYSA-N 0 0 438.431 4.286 1 10 IICFRN COc1ccc(C2(Cc3cc[n+]([O-])cc3)C(=O)c3ccccc3C2=O)cc1OC1CCCC1 ZINC000013781561 563006618 /nfs/dbraw/zinc/00/66/18/563006618.db2.gz SDTBOQRXNZAAKT-UHFFFAOYSA-N 0 0 443.499 4.210 1 10 IICFRN CCCCCc1cc2cc3c(c(O)c2c(=O)[nH]1)C1(CCC3)C(=O)c2c(c(O)ccc2O)C1=O ZINC000017259257 563021910 /nfs/dbraw/zinc/02/19/10/563021910.db2.gz UCTIZVSIQQUEHW-UHFFFAOYSA-N 0 0 447.487 4.031 1 10 IICFRN COc1ccc(N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)CC2)cc1 ZINC000064507978 563153906 /nfs/dbraw/zinc/15/39/06/563153906.db2.gz ZKZUEGLCMUAIBB-UHFFFAOYSA-N 0 0 428.330 4.435 1 10 IICFRN O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccccc3Br)c12 ZINC000072176271 563165632 /nfs/dbraw/zinc/16/56/32/563165632.db2.gz RYZSOWOKHBSYBF-UHFFFAOYSA-N 0 0 429.222 4.405 1 10 IICFRN CC[C@H]1N[C@@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O ZINC000017218311 563021729 /nfs/dbraw/zinc/02/17/29/563021729.db2.gz OBJIVGDTIWTEFE-RSBDWGPQSA-N 0 0 428.382 4.258 1 10 IICFRN CC[C@@H]1N[C@@](/N=N/c2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O ZINC000017218309 563021742 /nfs/dbraw/zinc/02/17/42/563021742.db2.gz OBJIVGDTIWTEFE-WLLWXBRJSA-N 0 0 428.382 4.258 1 10 IICFRN O=C1c2ccccc2-c2c1c1ccc(Br)cc1c(=O)n2CCCn1ccnc1 ZINC000095585090 563188728 /nfs/dbraw/zinc/18/87/28/563188728.db2.gz LKZOCDBQZWFUDU-UHFFFAOYSA-N 0 0 434.293 4.262 1 10 IICFRN CCN1C(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)N(CC)C1=S ZINC000013487542 562989431 /nfs/dbraw/zinc/98/94/31/562989431.db2.gz FAIXVGXVZWCCOR-UHFFFAOYSA-N 0 0 433.533 4.126 1 10 IICFRN O=S(=O)(c1cc(Cl)ccc1Cl)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 ZINC000013737771 563002669 /nfs/dbraw/zinc/00/26/69/563002669.db2.gz PKYATXUWDFGDBE-UHFFFAOYSA-N 0 0 440.260 4.161 1 10 IICFRN CC[C@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(C)c3)CC1)CC2 ZINC000026166434 563029354 /nfs/dbraw/zinc/02/93/54/563029354.db2.gz MQAZMXBBLMPTKM-CYFREDJKSA-N 0 0 435.612 4.448 1 10 IICFRN O=C(/C=C/c1ccc(N2CCc3cc(O)ccc3[C@H]2c2ccccc2)cc1)N1CCOCC1 ZINC000026657413 563034897 /nfs/dbraw/zinc/03/48/97/563034897.db2.gz AOQCXARLJLESBQ-MLOZSTENSA-N 0 0 440.543 4.416 1 10 IICFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc21 ZINC000029389788 563078821 /nfs/dbraw/zinc/07/88/21/563078821.db2.gz MLGMNELVJQCRKM-UHFFFAOYSA-N 0 0 438.465 4.420 1 10 IICFRN COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2C(=O)c2ccncc2)c(OC)c1OC ZINC000035013076 563088772 /nfs/dbraw/zinc/08/87/72/563088772.db2.gz PETDZKZTNGLKHQ-HXUWFJFHSA-N 0 0 447.491 4.113 1 10 IICFRN COc1ccc([C@H]2NC(c3ccc4c(c3)OCO4)=C[C@H](c3ccccc3O)N2)cc1OC ZINC000002934291 562930701 /nfs/dbraw/zinc/93/07/01/562930701.db2.gz FMWRDRMIUJQLSK-CLOONOSVSA-N 0 0 432.476 4.112 1 10 IICFRN CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc21 ZINC000029470930 563080586 /nfs/dbraw/zinc/08/05/86/563080586.db2.gz KWWAZBMQRDIRKA-UHFFFAOYSA-N 0 0 437.481 4.453 1 10 IICFRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)n2-c2ccc3c(c2)OCCO3)s1 ZINC000040891621 563109848 /nfs/dbraw/zinc/10/98/48/563109848.db2.gz MUOMSRJOQGBSSX-UHFFFAOYSA-N 0 0 439.478 4.221 1 10 IICFRN COc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000095574317 563185215 /nfs/dbraw/zinc/18/52/15/563185215.db2.gz WTMDTSOAKKTZJP-FQEVSTJZSA-N 0 0 438.355 4.351 1 10 IICFRN CCCCCC[C@H](C)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000013916765 563014056 /nfs/dbraw/zinc/01/40/56/563014056.db2.gz CTAGDTXGSWYTEE-VKCVVMHYSA-N 0 0 446.496 4.409 1 10 IICFRN COc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000026842288 563037508 /nfs/dbraw/zinc/03/75/08/563037508.db2.gz KNYLSAXQGSKKBU-UHFFFAOYSA-N 0 0 438.465 4.420 1 10 IICFRN CCN(C)c1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl ZINC000035242433 563089546 /nfs/dbraw/zinc/08/95/46/563089546.db2.gz OLPHYDUFRFPDGS-UHFFFAOYSA-N 0 0 427.810 4.386 1 10 IICFRN CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)c(O)c1)CC3=O)C[C@@H](C(C)(C)O)O2 ZINC000034706363 291379292 /nfs/dbraw/zinc/37/92/92/291379292.db2.gz GHPCQDAMKFOYPM-PMACEKPBSA-N 0 0 440.492 4.093 1 10 biogenic,in-vitro IICFRN Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=S)c1c(F)cccc1F ZINC000014945536 563015307 /nfs/dbraw/zinc/01/53/07/563015307.db2.gz HARCNHPDYDKMHE-UHFFFAOYSA-N 0 0 429.398 4.470 1 10 IICFRN COc1cc(OC)c(C(=O)c2ccccc2Br)c([O-])c1C[NH+]1CCCCC1 ZINC000049072317 563137887 /nfs/dbraw/zinc/13/78/87/563137887.db2.gz FNSSMPKCQXYKTF-UHFFFAOYSA-N 0 0 434.330 4.389 1 10 IICFRN CCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)c(F)c2)c1C ZINC000028862684 563066937 /nfs/dbraw/zinc/06/69/37/563066937.db2.gz RRFHNTCAXQZHMZ-UHFFFAOYSA-N 0 0 433.476 4.240 1 10 IICFRN CC(=O)c1ccc2c(c1)c1c3c(c4c(c1n2CC(C)C)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000029125354 563074282 /nfs/dbraw/zinc/07/42/82/563074282.db2.gz RWJUGKSKYOKGCS-UHFFFAOYSA-N 0 0 426.520 4.396 1 10 IICFRN CCN(CC)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1 ZINC000095576840 563186104 /nfs/dbraw/zinc/18/61/04/563186104.db2.gz UBCZXHSQAKQJEQ-UHFFFAOYSA-N 0 0 429.564 4.249 1 10 IICFRN COc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2O)C[C@H]1c1ccc(O)cc1 ZINC000029044408 563072443 /nfs/dbraw/zinc/07/24/43/563072443.db2.gz CHTBUJDZXVYAAY-FQEVSTJZSA-N 0 0 435.505 4.360 1 10 IICFRN CCOC(=O)COc1ccc(C(=O)c2ccc([O-])c(C[N+](C)(C)C)c2)c(Cl)c1Cl ZINC000040812854 563106913 /nfs/dbraw/zinc/10/69/13/563106913.db2.gz BBZWUZUJYYIDFV-UHFFFAOYSA-O 0 0 441.331 4.078 1 10 IICFRN CC1(C)CCC[C@@](C)(O)[C@H]1Cc1c(=O)cc2oc(-c3ccc(O)c(O)c3)cc(O)c-2c1O ZINC000043069147 563117989 /nfs/dbraw/zinc/11/79/89/563117989.db2.gz IEDRNKKFHHTLRT-SQJMNOBHSA-N 0 0 440.492 4.402 1 10 IICFRN Cn1ncc2c1CCc1c3c(c4cc([C@@H]5CCCCO5)ccc4n3C)c3c(c1-2)C(=O)NC3 ZINC000049035190 563136192 /nfs/dbraw/zinc/13/61/92/563136192.db2.gz ULZBQUZLJDZNPA-NRFANRHFSA-N 0 0 426.520 4.316 1 10 IICFRN Nc1ccc(Cc2ccc(Nc3nc(N)nc(OCc4ccccc4)c3[N+](=O)[O-])cc2)cc1 ZINC000066077478 563157674 /nfs/dbraw/zinc/15/76/74/563157674.db2.gz DCHXFIWIXOKSMG-UHFFFAOYSA-N 0 0 442.479 4.463 1 10 IICFRN COc1cccc(-c2cc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)no2)c1 ZINC000071282299 563161502 /nfs/dbraw/zinc/16/15/02/563161502.db2.gz RISYHKUHNQHYMW-JOCHJYFZSA-N 0 0 440.459 4.442 1 10 IICFRN COc1nc(/C=C/c2ccc(N(C)C)c(O)c2)cc(/C=C/c2ccc(N(C)C)c(O)c2)n1 ZINC000084687917 563175918 /nfs/dbraw/zinc/17/59/18/563175918.db2.gz HWRYPZRILIVNCE-JMQWPVDRSA-N 0 0 432.524 4.369 1 10 IICFRN O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000095577571 563186415 /nfs/dbraw/zinc/18/64/15/563186415.db2.gz YEGILKGBPDUDEG-UHFFFAOYSA-N 0 0 441.575 4.393 1 10 IICFRN CC(C)(C)CNc1nc2c(ncn2CCc2ccc(N)cc2)c(Nc2cccc(N)c2)n1 ZINC000040875630 563109386 /nfs/dbraw/zinc/10/93/86/563109386.db2.gz VUQYEOIWAZTLLK-UHFFFAOYSA-N 0 0 430.560 4.435 1 10 IICFRN