smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000000032479 567816819 /nfs/dbraw/zinc/81/68/19/567816819.db2.gz GNVWTXOONDMSAH-UHFFFAOYSA-N 0 0 264.303 4.515 50 10 CJCARN Nc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CCC[C@@H]21 ZINC000000035168 169511638 /nfs/dbraw/zinc/51/16/38/169511638.db2.gz DPDVLHAMYZQEMF-JKIFEVAISA-N 0 0 298.817 4.973 50 10 CJCARN COc1ccc(Oc2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000000037792 567816728 /nfs/dbraw/zinc/81/67/28/567816728.db2.gz HGLXQIJBEXPKBV-UHFFFAOYSA-N 0 0 293.366 4.895 50 10 CJCARN Cc1ccc(C2=C/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000000088804 567908835 /nfs/dbraw/zinc/90/88/35/567908835.db2.gz BHCNOVHOPKCNEU-GDNBJRDFSA-N 0 0 296.753 4.630 50 10 CJCARN CC(C)c1cc(Oc2ccc(N)cn2)cc(C(C)C)c1 ZINC000000092672 567818031 /nfs/dbraw/zinc/81/80/31/567818031.db2.gz GOKKPMOQLPFCPI-UHFFFAOYSA-N 0 0 270.376 4.703 50 10 CJCARN Cc1ccc(Cl)c2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21 ZINC000000094515 567908982 /nfs/dbraw/zinc/90/89/82/567908982.db2.gz IOTCVFOATHRDOF-GLJUWKHASA-N 0 0 296.801 4.870 50 10 CJCARN Cc1ccc(Nc2nc(-c3ccncc3)cs2)c(C)c1 ZINC000000098022 567905904 /nfs/dbraw/zinc/90/59/04/567905904.db2.gz VJUDRNAIBYLBFM-UHFFFAOYSA-N 0 0 281.384 4.566 50 10 CJCARN CCOc1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000000135774 567819773 /nfs/dbraw/zinc/81/97/73/567819773.db2.gz AFPYSPGLOVBMRR-UHFFFAOYSA-N 0 0 290.366 4.775 50 10 CJCARN c1cc2cccc3c2c(c1)NC1(CCCCCC1)N3 ZINC000000135797 567819605 /nfs/dbraw/zinc/81/96/05/567819605.db2.gz DHXWVWPVLLJSRG-UHFFFAOYSA-N 0 0 252.361 4.728 50 10 CJCARN Cc1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000000135804 567819747 /nfs/dbraw/zinc/81/97/47/567819747.db2.gz HZAWSECNAURSLI-UHFFFAOYSA-N 0 0 260.340 4.684 50 10 CJCARN Nc1ccc(CSc2cccc(C(F)(F)F)c2)cc1 ZINC000000168294 169561285 /nfs/dbraw/zinc/56/12/85/169561285.db2.gz AZCRSFJBEAVNAT-UHFFFAOYSA-N 0 0 283.318 4.580 50 10 CJCARN CCc1ccccc1Nc1nc(-c2ccncc2)cs1 ZINC000000190429 567821622 /nfs/dbraw/zinc/82/16/22/567821622.db2.gz GRWZQIBFFXVSFP-UHFFFAOYSA-N 0 0 281.384 4.511 50 10 CJCARN COc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 ZINC000000197855 567822276 /nfs/dbraw/zinc/82/22/76/567822276.db2.gz SCUKTZVQOULZEG-RVKKMQEKSA-N 0 0 295.357 4.661 50 10 CJCARN Fc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000197865 567822250 /nfs/dbraw/zinc/82/22/50/567822250.db2.gz CSVQSQUSQOIXQM-DAYGRLMNSA-N 0 0 283.321 4.791 50 10 CJCARN Fc1ccccc1C1Nc2cccc3cccc(c32)N1 ZINC000000228754 567822572 /nfs/dbraw/zinc/82/25/72/567822572.db2.gz UMOLDPXDZAIHME-UHFFFAOYSA-N 0 0 264.303 4.515 50 10 CJCARN Cc1ccc(C2Nc3cccc4cccc(c43)N2)s1 ZINC000000232245 567822441 /nfs/dbraw/zinc/82/24/41/567822441.db2.gz TWLCHPQEGKAWQZ-UHFFFAOYSA-N 0 0 266.369 4.746 50 10 CJCARN Fc1cccc(C2Nc3cccc4cccc(c43)N2)c1 ZINC000000232258 567822469 /nfs/dbraw/zinc/82/24/69/567822469.db2.gz ADIXISMNKJHIRP-UHFFFAOYSA-N 0 0 264.303 4.515 50 10 CJCARN Cc1cccc(C2Nc3cccc4cccc(c43)N2)c1 ZINC000000232263 169581474 /nfs/dbraw/zinc/58/14/74/169581474.db2.gz HPFJVSRZYNTHHT-UHFFFAOYSA-N 0 0 260.340 4.684 50 10 CJCARN CCc1c(-c2ccccc2)cn2c1-c1ccc(C)n1CC2 ZINC000000245585 567822714 /nfs/dbraw/zinc/82/27/14/567822714.db2.gz JYATWJCAWIRUPO-UHFFFAOYSA-N 0 0 276.383 4.508 50 10 CJCARN Cc1ccc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000000266612 567931285 /nfs/dbraw/zinc/93/12/85/567931285.db2.gz VLIZDFOLEKTLAO-UHFFFAOYSA-N 0 0 251.304 4.592 50 10 CJCARN Cc1ccc(-c2ccccc2)n1-c1ccc(F)c(C)c1 ZINC000000266617 567823249 /nfs/dbraw/zinc/82/32/49/567823249.db2.gz RSOSEJXHVRCFLK-UHFFFAOYSA-N 0 0 265.331 4.900 50 10 CJCARN Cc1ccc(-c2ccccc2)n1-c1ccc(N(C)C)cc1 ZINC000000266619 567047212 /nfs/dbraw/zinc/04/72/12/567047212.db2.gz JXSWZCBAJQVLIB-UHFFFAOYSA-N 0 0 276.383 4.519 50 10 CJCARN Cc1ccc2n1CCn1cc(-c3ccc(C)cc3)c(C)c1-2 ZINC000000271209 567926016 /nfs/dbraw/zinc/92/60/16/567926016.db2.gz SDHBVRQNQTXSMT-UHFFFAOYSA-N 0 0 276.383 4.562 50 10 CJCARN Cc1ccsc1C1Nc2cccc3cccc(c32)N1 ZINC000000275606 567823545 /nfs/dbraw/zinc/82/35/45/567823545.db2.gz HJFVCDGWRVNBQE-UHFFFAOYSA-N 0 0 266.369 4.746 50 10 CJCARN Cc1ccc(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000000276651 567823568 /nfs/dbraw/zinc/82/35/68/567823568.db2.gz PKHNVROGZAYKGL-UHFFFAOYSA-N 0 0 273.685 4.766 50 10 CJCARN Cc1cc(C=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000000295138 567824387 /nfs/dbraw/zinc/82/43/87/567824387.db2.gz BZDQNPDQZRRIRK-UHFFFAOYSA-N 0 0 275.351 4.574 50 10 CJCARN Cc1ccc(C)n1-c1ccc(Nc2ccccc2)cc1 ZINC000000295146 169599909 /nfs/dbraw/zinc/59/99/09/169599909.db2.gz FJZFUNBBAZJHTD-UHFFFAOYSA-N 0 0 262.356 4.838 50 10 CJCARN Cc1ccc(C)n1-c1ccc(-n2c(C)ccc2C)cc1 ZINC000000295148 567824228 /nfs/dbraw/zinc/82/42/28/567824228.db2.gz ZZSXMBLVTHZLFB-UHFFFAOYSA-N 0 0 264.372 4.502 50 10 CJCARN Cc1ccc(C)n1-c1cccc(-n2c(C)ccc2C)c1 ZINC000000295150 567824423 /nfs/dbraw/zinc/82/44/23/567824423.db2.gz DCAZURSBZOUUME-UHFFFAOYSA-N 0 0 264.372 4.502 50 10 CJCARN Cc1ccc(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000000295153 567935954 /nfs/dbraw/zinc/93/59/54/567935954.db2.gz JNBBPLWHZXZJHS-UHFFFAOYSA-N 0 0 277.367 4.673 50 10 CJCARN CCN(CC)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000295398 567824428 /nfs/dbraw/zinc/82/44/28/567824428.db2.gz IXYATCDSDHQBLY-AATRIKPKSA-N 0 0 296.370 4.611 50 10 CJCARN C1=C[C@H]2c3cccc4c3N(C[C@H]2C1)c1ccccc1S4 ZINC000000314617 567825040 /nfs/dbraw/zinc/82/50/40/567825040.db2.gz COHWOKHTBHDDGG-CHWSQXEVSA-N 0 0 277.392 4.963 50 10 CJCARN C1=C[C@@H]2c3cccc4c3N(C[C@H]2C1)c1ccccc1S4 ZINC000000314619 567824927 /nfs/dbraw/zinc/82/49/27/567824927.db2.gz COHWOKHTBHDDGG-OLZOCXBDSA-N 0 0 277.392 4.963 50 10 CJCARN C1=C[C@H]2c3cccc4c3N(C[C@@H]2C1)c1ccccc1S4 ZINC000000314620 567824833 /nfs/dbraw/zinc/82/48/33/567824833.db2.gz COHWOKHTBHDDGG-QWHCGFSZSA-N 0 0 277.392 4.963 50 10 CJCARN C1=C[C@@H]2c3cccc4c3N(C[C@@H]2C1)c1ccccc1S4 ZINC000000314621 567825034 /nfs/dbraw/zinc/82/50/34/567825034.db2.gz COHWOKHTBHDDGG-STQMWFEESA-N 0 0 277.392 4.963 50 10 CJCARN C[C@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000000350136 567826305 /nfs/dbraw/zinc/82/63/05/567826305.db2.gz GQHPWIMPJMNDDD-VIFPVBQESA-N 0 0 282.170 4.872 50 10 CJCARN C[C@@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000000350138 567826302 /nfs/dbraw/zinc/82/63/02/567826302.db2.gz GQHPWIMPJMNDDD-SECBINFHSA-N 0 0 282.170 4.872 50 10 CJCARN Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000000350139 567826207 /nfs/dbraw/zinc/82/62/07/567826207.db2.gz OTSRWQVQYSTABW-NSHDSACASA-N 0 0 261.752 4.527 50 10 CJCARN Cc1ccc(N[C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000000350140 567826391 /nfs/dbraw/zinc/82/63/91/567826391.db2.gz OTSRWQVQYSTABW-LLVKDONJSA-N 0 0 261.752 4.527 50 10 CJCARN Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)c(C)c1 ZINC000000350147 567826252 /nfs/dbraw/zinc/82/62/52/567826252.db2.gz PKWAMUVVCDOLOE-LBPRGKRZSA-N 0 0 275.779 4.836 50 10 CJCARN Cc1ccc(N[C@H](C)c2cc(Cl)ccc2O)c(C)c1 ZINC000000350148 567826262 /nfs/dbraw/zinc/82/62/62/567826262.db2.gz PKWAMUVVCDOLOE-GFCCVEGCSA-N 0 0 275.779 4.836 50 10 CJCARN Cc1cccc(N[C@@H](C)c2cc(Cl)ccc2O)c1C ZINC000000350150 567826231 /nfs/dbraw/zinc/82/62/31/567826231.db2.gz DYILWFVSLLZIIR-LBPRGKRZSA-N 0 0 275.779 4.836 50 10 CJCARN Cc1cccc(N[C@H](C)c2cc(Cl)ccc2O)c1C ZINC000000350152 567826388 /nfs/dbraw/zinc/82/63/88/567826388.db2.gz DYILWFVSLLZIIR-GFCCVEGCSA-N 0 0 275.779 4.836 50 10 CJCARN Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)cc1C ZINC000000350154 567826277 /nfs/dbraw/zinc/82/62/77/567826277.db2.gz DPJCVCFHQDYLAA-LBPRGKRZSA-N 0 0 275.779 4.836 50 10 CJCARN Cc1ccc(N[C@H](C)c2cc(Cl)ccc2O)cc1C ZINC000000350155 567826333 /nfs/dbraw/zinc/82/63/33/567826333.db2.gz DPJCVCFHQDYLAA-GFCCVEGCSA-N 0 0 275.779 4.836 50 10 CJCARN Cc1cccc(C)c1N[C@@H](C)c1cc(Cl)ccc1O ZINC000000350156 567826421 /nfs/dbraw/zinc/82/64/21/567826421.db2.gz NHTZGQFAVNDRPQ-LBPRGKRZSA-N 0 0 275.779 4.836 50 10 CJCARN Cc1cccc(C)c1N[C@H](C)c1cc(Cl)ccc1O ZINC000000350158 567826268 /nfs/dbraw/zinc/82/62/68/567826268.db2.gz NHTZGQFAVNDRPQ-GFCCVEGCSA-N 0 0 275.779 4.836 50 10 CJCARN CCN(CC)c1ccc(CNc2ccc(Cl)cc2)cc1 ZINC000000360667 567826695 /nfs/dbraw/zinc/82/66/95/567826695.db2.gz OKEBKDNDKRWCCC-UHFFFAOYSA-N 0 0 288.822 4.798 50 10 CJCARN CCOc1ccccc1-n1c(C)ccc1-c1ccccc1 ZINC000000360894 169616776 /nfs/dbraw/zinc/61/67/76/169616776.db2.gz LSFXZEGUBYCCRJ-UHFFFAOYSA-N 0 0 277.367 4.851 50 10 CJCARN Cc1ccc(-c2ccccc2)n1-c1ccc(Cl)cc1O ZINC000000360896 567826594 /nfs/dbraw/zinc/82/65/94/567826594.db2.gz IYTWRPJITOMIEO-UHFFFAOYSA-N 0 0 283.758 4.812 50 10 CJCARN CC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 ZINC000000378433 567828141 /nfs/dbraw/zinc/82/81/41/567828141.db2.gz UDWVPCKQKOFUNR-UHFFFAOYSA-N 0 0 275.351 4.655 50 10 CJCARN CCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000393671 567828771 /nfs/dbraw/zinc/82/87/71/567828771.db2.gz HYQVIXGSNDUWKE-UHFFFAOYSA-N 0 0 262.356 4.696 50 10 CJCARN CN(C)c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000000398713 169630597 /nfs/dbraw/zinc/63/05/97/169630597.db2.gz UMQJKKQMPKZPIV-UHFFFAOYSA-N 0 0 295.213 4.672 50 10 CJCARN CCCN(CCC)c1cccc(NC(=O)c2ccccc2)c1 ZINC000000401847 567829426 /nfs/dbraw/zinc/82/94/26/567829426.db2.gz NDJFTQMHIADZBX-UHFFFAOYSA-N 0 0 296.414 4.565 50 10 CJCARN c1[nH]c2ccccc2c1C1Nc2cccc3cccc(c32)N1 ZINC000000405723 169631973 /nfs/dbraw/zinc/63/19/73/169631973.db2.gz OFXWNHVVQHXPAO-UHFFFAOYSA-N 0 0 285.350 4.857 50 10 CJCARN Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1N=N ZINC000000407094 566945421 /nfs/dbraw/zinc/94/54/21/566945421.db2.gz MNLZJWMIXXGXKT-UHFFFAOYSA-N 0 0 273.723 4.563 50 10 CJCARN CN(C)c1ccc(CNc2cccc(Cl)c2Cl)cc1 ZINC000000409915 169633307 /nfs/dbraw/zinc/63/33/07/169633307.db2.gz IMRLCGPFWCMUIK-UHFFFAOYSA-N 0 0 295.213 4.672 50 10 CJCARN CSc1ccc(NCc2c(O)ccc3ccccc32)cc1 ZINC000000409968 566909800 /nfs/dbraw/zinc/90/98/00/566909800.db2.gz ANYIEJCYLFMISI-UHFFFAOYSA-N 0 0 295.407 4.879 50 10 CJCARN Cc1ccc(NCc2c(O)ccc3ccccc32)cc1C ZINC000000409969 566908989 /nfs/dbraw/zinc/90/89/89/566908989.db2.gz YGXSUYQUAYAMQZ-UHFFFAOYSA-N 0 0 277.367 4.774 50 10 CJCARN Cc1ccc(NCc2c(O)ccc3ccccc32)c(C)c1 ZINC000000410159 567936241 /nfs/dbraw/zinc/93/62/41/567936241.db2.gz JTDMEEVFQWUECA-UHFFFAOYSA-N 0 0 277.367 4.774 50 10 CJCARN Cc1ccc(CNc2ccc3c(c2)ncn3C(C)(C)C)cc1 ZINC000000423329 567930609 /nfs/dbraw/zinc/93/06/09/567930609.db2.gz KABXZKHLNRPNTQ-UHFFFAOYSA-N 0 0 293.414 4.712 50 10 CJCARN Cc1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)cc1 ZINC000000432631 567936118 /nfs/dbraw/zinc/93/61/18/567936118.db2.gz SQNHVFUTNCUKHO-GDNBJRDFSA-N 0 0 296.753 4.630 50 10 CJCARN Cc1ccccc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O ZINC000000446515 570271332 /nfs/dbraw/zinc/27/13/32/570271332.db2.gz SKCFNHUXFKZNRI-XNTDXEJSSA-N 0 0 296.753 4.630 50 10 CJCARN Cc1ccc(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000470042 567831904 /nfs/dbraw/zinc/83/19/04/567831904.db2.gz OTCMNZDGIJIMKV-UHFFFAOYSA-N 0 0 292.338 4.669 50 10 CJCARN Nc1ccc(Oc2ccccc2-c2ccccc2)cc1 ZINC000000482374 567832671 /nfs/dbraw/zinc/83/26/71/567832671.db2.gz ZWQOXRDNGHWDBS-UHFFFAOYSA-N 0 0 261.324 4.728 50 10 CJCARN CC(C)CC1=C/C(=C/c2ccc(-c3ccccc3)o2)C(=O)O1 ZINC000000507753 567832922 /nfs/dbraw/zinc/83/29/22/567832922.db2.gz TUOCIJUKVDYMLV-PTNGSMBKSA-N 0 0 294.350 4.817 50 10 CJCARN Cc1cc(C=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000000555569 567833391 /nfs/dbraw/zinc/83/33/91/567833391.db2.gz JKQSSTSAHUVGAO-UHFFFAOYSA-N 0 0 281.399 4.954 50 10 CJCARN Cc1ccc(C)c(Nc2nc(-c3ccncc3)cs2)c1 ZINC000000613175 567834380 /nfs/dbraw/zinc/83/43/80/567834380.db2.gz JSYWERBFDZEEHC-UHFFFAOYSA-N 0 0 281.384 4.566 50 10 CJCARN Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=O ZINC000000619951 169676797 /nfs/dbraw/zinc/67/67/97/169676797.db2.gz CTXBIEWMRWEGOR-UHFFFAOYSA-N 0 0 287.790 4.594 50 10 CJCARN Cc1cc2c(n1-c1ccc(C)c(C)c1)CC(C)(C)CC2=O ZINC000000620381 567936811 /nfs/dbraw/zinc/93/68/11/567936811.db2.gz PFNAKNKFWAVWRH-UHFFFAOYSA-N 0 0 281.399 4.558 50 10 CJCARN CCc1c(-c2ccc(C)cc2)cn2c1-c1ccc(C)n1CC2 ZINC000000970505 566835859 /nfs/dbraw/zinc/83/58/59/566835859.db2.gz WKGHLVUISZBWLU-UHFFFAOYSA-N 0 0 290.410 4.816 50 10 CJCARN CCCn1cnc2cc(NCc3ccccc3Cl)ccc21 ZINC000001062166 567836092 /nfs/dbraw/zinc/83/60/92/567836092.db2.gz FMZAFBLXFYIQJB-UHFFFAOYSA-N 0 0 299.805 4.712 50 10 CJCARN CC(C)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000001230660 567836508 /nfs/dbraw/zinc/83/65/08/567836508.db2.gz PRXLIEMIYWMODF-UHFFFAOYSA-N 0 0 296.458 4.607 50 10 CJCARN COc1ccc(-n2c(C)ccc2-c2ccc(F)cc2)cc1 ZINC000001403474 566872452 /nfs/dbraw/zinc/87/24/52/566872452.db2.gz WWAMWGXHALXYRA-UHFFFAOYSA-N 0 0 281.330 4.600 50 10 CJCARN c1ccn(-c2ccc(-c3noc(C4CCCCC4)n3)cc2)c1 ZINC000001423434 230366782 /nfs/dbraw/zinc/36/67/82/230366782.db2.gz SPMWUEBDFCXFCM-UHFFFAOYSA-N 0 0 293.370 4.575 50 10 CJCARN O=C1c2ccccc2-c2nc3ccc4ccccc4c3cc21 ZINC000001440364 567837308 /nfs/dbraw/zinc/83/73/08/567837308.db2.gz DAFPXXKUFKALKG-UHFFFAOYSA-N 0 0 281.314 4.599 50 10 CJCARN CN(C)c1ccc(/C=C2\C=Cc3ccccc32)c(Cl)c1 ZINC000001570205 566941995 /nfs/dbraw/zinc/94/19/95/566941995.db2.gz ZADTWRBSMBLDEE-SDNWHVSQSA-N 0 0 281.786 4.973 50 10 CJCARN CN(C)c1ccc(/C=C/C=C2\C=Cc3ccccc32)cc1 ZINC000001662455 566944271 /nfs/dbraw/zinc/94/42/71/566944271.db2.gz VHPHZHGXMQEQLQ-QLGUIBHBSA-N 0 0 273.379 4.876 50 10 CJCARN CN(C)c1ccc(/C=C/C=C2/C=Cc3ccccc32)cc1 ZINC000001662458 567840258 /nfs/dbraw/zinc/84/02/58/567840258.db2.gz VHPHZHGXMQEQLQ-QYZIKYIRSA-N 0 0 273.379 4.876 50 10 CJCARN C(=C1/C=Cc2ccccc21)\c1cc2c3c(c1)CCCN3CCC2 ZINC000001709411 136393253 /nfs/dbraw/zinc/39/32/53/136393253.db2.gz FFYXWTARKYNAGZ-AQTBWJFISA-N 0 0 299.417 4.953 50 10 CJCARN Cc1cc(/C=C2\C=Cc3ccccc32)ccc1N(C)C ZINC000001730581 169751977 /nfs/dbraw/zinc/75/19/77/169751977.db2.gz APDWNFSVJPHAHU-GHRIWEEISA-N 0 0 261.368 4.628 50 10 CJCARN Cc1cccc2c(/C=C/c3ccc(N(C)C)cc3)ccnc12 ZINC000001763188 567843176 /nfs/dbraw/zinc/84/31/76/567843176.db2.gz GRWFIWHHGVXOKK-JXMROGBWSA-N 0 0 288.394 4.780 50 10 CJCARN Cc1cc(C)c(C(=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000002359836 169787333 /nfs/dbraw/zinc/78/73/33/169787333.db2.gz WCDCASRNSNBIFI-UHFFFAOYSA-N 0 0 294.394 4.603 50 10 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