smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1cccc(C2Nc3cccc4cccc(c43)N2)c1 ZINC000000028672 567816511 /nfs/dbraw/zinc/81/65/11/567816511.db2.gz XCXOXFRTKQREIB-UHFFFAOYSA-N 0 0 280.758 5.029 50 10 CKCARN Fc1cccc(Cl)c1C1Nc2cccc3cccc(c32)N1 ZINC000000028673 567816547 /nfs/dbraw/zinc/81/65/47/567816547.db2.gz RZKKGVHUAWXVGC-UHFFFAOYSA-N 0 0 298.748 5.169 50 10 CKCARN CSc1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000000028678 567816595 /nfs/dbraw/zinc/81/65/95/567816595.db2.gz ZGSXAZRGUJZVBY-UHFFFAOYSA-N 0 0 292.407 5.098 50 10 CKCARN Clc1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000000028680 567816451 /nfs/dbraw/zinc/81/64/51/567816451.db2.gz KYZVDBPJDCCYMN-UHFFFAOYSA-N 0 0 280.758 5.029 50 10 CKCARN Fc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000000083645 567907763 /nfs/dbraw/zinc/90/77/63/567907763.db2.gz OIYHGTMRFWZLSX-JKIFEVAISA-N 0 0 299.776 5.306 50 10 CKCARN Oc1ccccc1CNc1ccc(C2CCCCC2)cc1 ZINC000000135857 169549457 /nfs/dbraw/zinc/54/94/57/169549457.db2.gz LQLXMQGMWDRSEW-UHFFFAOYSA-N 0 0 281.399 5.052 50 10 CKCARN Cc1ccc(C)n1-c1ccc(Oc2ccc(C)cc2)cc1 ZINC000000173088 567821505 /nfs/dbraw/zinc/82/15/05/567821505.db2.gz BNDNHRAZFZKAAM-UHFFFAOYSA-N 0 0 277.367 5.195 50 10 CKCARN Cc1ccc(C)n1-c1ccc(Oc2cccc(C)c2)cc1 ZINC000000173092 567821332 /nfs/dbraw/zinc/82/13/32/567821332.db2.gz MGPAKFGBAWSFIQ-UHFFFAOYSA-N 0 0 277.367 5.195 50 10 CKCARN Cc1ccc(C)n1-c1ccc(Oc2ccccc2C)cc1 ZINC000000173097 567821329 /nfs/dbraw/zinc/82/13/29/567821329.db2.gz LNQTVBZYWPMWEF-UHFFFAOYSA-N 0 0 277.367 5.195 50 10 CKCARN Cc1ccc(C)n1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000173099 567821445 /nfs/dbraw/zinc/82/14/45/567821445.db2.gz LLZOHQYSSTYIAS-UHFFFAOYSA-N 0 0 297.785 5.540 50 10 CKCARN Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000000179774 567821729 /nfs/dbraw/zinc/82/17/29/567821729.db2.gz COHMVEZBHSOLFC-HDMKZQKVSA-N 0 0 299.776 5.306 50 10 CKCARN Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000000197859 169571485 /nfs/dbraw/zinc/57/14/85/169571485.db2.gz HTPQDUAIFDURPW-IQUTYRLHSA-N 0 0 295.813 5.475 50 10 CKCARN Fc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000197864 169571601 /nfs/dbraw/zinc/57/16/01/169571601.db2.gz AHDBIRAJXUWVRI-DAYGRLMNSA-N 0 0 299.776 5.306 50 10 CKCARN Clc1ccccc1C1Nc2cccc3cccc(c32)N1 ZINC000000228764 567822331 /nfs/dbraw/zinc/82/23/31/567822331.db2.gz VFCSCFYJARCXSF-UHFFFAOYSA-N 0 0 280.758 5.029 50 10 CKCARN COc1ccc(Cl)cc1-n1c(C)ccc1-c1ccccc1 ZINC000000360897 567826545 /nfs/dbraw/zinc/82/65/45/567826545.db2.gz QICJIJYKRWLYKI-UHFFFAOYSA-N 0 0 297.785 5.115 50 10 CKCARN S=C(C=C1Sc2ccccc2S1)c1ccccc1 ZINC000000384105 169625180 /nfs/dbraw/zinc/62/51/80/169625180.db2.gz NVVRLGYQUYEVHS-UHFFFAOYSA-N 0 0 286.446 5.144 50 10 CKCARN Cc1ccc(C)n1-c1ccc(Sc2ccccc2)cc1 ZINC000000400051 333313030 /nfs/dbraw/zinc/31/30/30/333313030.db2.gz AFROKHZQFBSHRU-UHFFFAOYSA-N 0 0 279.408 5.245 50 10 CKCARN Cc1ccc(C)n1-c1ccccc1Sc1ccccc1C ZINC000000400052 326791957 /nfs/dbraw/zinc/79/19/57/326791957.db2.gz YTSURFAWTVUPTE-UHFFFAOYSA-N 0 0 293.435 5.554 50 10 CKCARN Cc1ccc(C)n1-c1ccc(Sc2cccc(C)c2)cc1 ZINC000000400103 567829209 /nfs/dbraw/zinc/82/92/09/567829209.db2.gz YWXNXCYLZBNJBI-UHFFFAOYSA-N 0 0 293.435 5.554 50 10 CKCARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1ccco1)N2 ZINC000000441086 567887955 /nfs/dbraw/zinc/88/79/55/567887955.db2.gz BZONWBSZJWKHKQ-QGZVFWFLSA-N 0 0 299.414 5.378 50 10 CKCARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1ccco1)N2 ZINC000000441087 169641368 /nfs/dbraw/zinc/64/13/68/169641368.db2.gz BZONWBSZJWKHKQ-KRWDZBQOSA-N 0 0 299.414 5.378 50 10 CKCARN C[C@H](Nc1cccc2ccccc21)c1cc(Cl)ccc1O ZINC000000616857 567834242 /nfs/dbraw/zinc/83/42/42/567834242.db2.gz XQCMRFMFGNFTGL-LBPRGKRZSA-N 0 0 297.785 5.372 50 10 CKCARN C[C@@H](Nc1cccc2ccccc21)c1cc(Cl)ccc1O ZINC000000616859 567834422 /nfs/dbraw/zinc/83/44/22/567834422.db2.gz XQCMRFMFGNFTGL-GFCCVEGCSA-N 0 0 297.785 5.372 50 10 CKCARN Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000000969719 567835313 /nfs/dbraw/zinc/83/53/13/567835313.db2.gz COHMVEZBHSOLFC-RVKKMQEKSA-N 0 0 299.776 5.306 50 10 CKCARN Fc1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000000969736 567835244 /nfs/dbraw/zinc/83/52/44/567835244.db2.gz DQHRCIFCYYPLIS-JJRVBVJISA-N 0 0 299.776 5.306 50 10 CKCARN Cc1ccc(-c2ccccc2)n1-c1cccc2ccccc21 ZINC000000977545 567835517 /nfs/dbraw/zinc/83/55/17/567835517.db2.gz SQSZCWZCKCQOHW-UHFFFAOYSA-N 0 0 283.374 5.606 50 10 CKCARN Cc1c2ccccc2n(-c2ccccc2)c1-c1ccccc1 ZINC000000980086 169684146 /nfs/dbraw/zinc/68/41/46/169684146.db2.gz CANSZCSJTKSWNL-UHFFFAOYSA-N 0 0 283.374 5.606 50 10 CKCARN c1ccc2c(c1)CCc1ccccc1C2=C1CCSCC1 ZINC000001031297 570323822 /nfs/dbraw/zinc/32/38/22/570323822.db2.gz XDOMWYVEBTUBHQ-UHFFFAOYSA-N 0 0 292.447 5.114 50 10 CKCARN Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000001053933 570323901 /nfs/dbraw/zinc/32/39/01/570323901.db2.gz QVDQZGUDCMASFY-FHSNZYRGSA-N 0 0 299.776 5.306 50 10 CKCARN c1ccc2c(c1)cccc2C1Nc2cccc3cccc(c32)N1 ZINC000001088900 567835935 /nfs/dbraw/zinc/83/59/35/567835935.db2.gz XNRWRUGPZXNKKK-UHFFFAOYSA-N 0 0 296.373 5.529 50 10 CKCARN CC(C)c1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000001195385 169691550 /nfs/dbraw/zinc/69/15/50/169691550.db2.gz VBILVOBHJIPKHI-UHFFFAOYSA-N 0 0 288.394 5.499 50 10 CKCARN Cc1ccc(-c2ccco2)n1-c1cccc(C(F)(F)F)c1 ZINC000001393039 566868373 /nfs/dbraw/zinc/86/83/73/566868373.db2.gz NOWPWVJBEDPQJF-UHFFFAOYSA-N 0 0 291.272 5.065 50 10 CKCARN Cc1ccc(-c2ccco2)n1-c1cc(Cl)cc(Cl)c1 ZINC000001393040 566869591 /nfs/dbraw/zinc/86/95/91/566869591.db2.gz XQPAUXVAGLPAPB-UHFFFAOYSA-N 0 0 292.165 5.353 50 10 CKCARN Cc1ccc(-c2ccc(F)cc2)n1-c1ccc(Cl)cc1 ZINC000001403483 566870945 /nfs/dbraw/zinc/87/09/45/566870945.db2.gz BZERNHLUCJECCZ-UHFFFAOYSA-N 0 0 285.749 5.245 50 10 CKCARN Cc1ccc(-c2ccccc2)n1-c1ccc(C(C)(C)C)cc1 ZINC000001410370 567837237 /nfs/dbraw/zinc/83/72/37/567837237.db2.gz PNZNQNANYMBCPC-UHFFFAOYSA-N 0 0 289.422 5.750 50 10 CKCARN Cc1ccc(-c2ccccc2)n1-c1ccc2ncccc2c1 ZINC000001418647 567837107 /nfs/dbraw/zinc/83/71/07/567837107.db2.gz ASEATLWMKJRCMU-UHFFFAOYSA-N 0 0 284.362 5.001 50 10 CKCARN Cc1ccc(-c2ccccc2)n1-c1cccc2cccnc21 ZINC000001418648 567837408 /nfs/dbraw/zinc/83/74/08/567837408.db2.gz IJRLRCPDJWQPNU-UHFFFAOYSA-N 0 0 284.362 5.001 50 10 CKCARN CN(C)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000001724435 567842955 /nfs/dbraw/zinc/84/29/55/567842955.db2.gz GAYAMEKFIBYRJW-UHFFFAOYSA-N 0 0 297.401 5.322 50 10 CKCARN c1ccc([C@H]2Nc3ccccc3N[C@@H]2c2ccccc2)cc1 ZINC000001728909 169751776 /nfs/dbraw/zinc/75/17/76/169751776.db2.gz XQHUFNLOARWBAX-WOJBJXKFSA-N 0 0 286.378 5.007 50 10 CKCARN c1ccc([C@@H]2Nc3ccccc3N[C@H]2c2ccccc2)cc1 ZINC000001728910 567842931 /nfs/dbraw/zinc/84/29/31/567842931.db2.gz XQHUFNLOARWBAX-PMACEKPBSA-N 0 0 286.378 5.007 50 10 CKCARN CCN(CC)c1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000001730577 570384155 /nfs/dbraw/zinc/38/41/55/570384155.db2.gz YUBYXGSEQVSOSN-OBGWFSINSA-N 0 0 275.395 5.100 50 10 CKCARN CC(C)C[C@@H](C)Nc1ccc(Nc2ccccc2)cc1 ZINC000002031075 567844107 /nfs/dbraw/zinc/84/41/07/567844107.db2.gz ZZMVLMVFYMGSMY-OAHLLOKOSA-N 0 0 268.404 5.277 50 10 CKCARN CC(C)C[C@H](C)Nc1ccc(Nc2ccccc2)cc1 ZINC000002031077 567844024 /nfs/dbraw/zinc/84/40/24/567844024.db2.gz ZZMVLMVFYMGSMY-HNNXBMFYSA-N 0 0 268.404 5.277 50 10 CKCARN CN(C)c1ccc(/C=C/c2cccc3ccccc23)cc1 ZINC000002032131 566999364 /nfs/dbraw/zinc/99/93/64/566999364.db2.gz SVRNNQYGAOMXBM-JLHYYAGUSA-N 0 0 273.379 5.076 50 10 CKCARN CCc1c2ccccc2n(-c2ccccc2)c1-c1ccccc1 ZINC000002077945 567844708 /nfs/dbraw/zinc/84/47/08/567844708.db2.gz FFMMBIZJYVBRKG-UHFFFAOYSA-N 0 0 297.401 5.860 50 10 CKCARN Cc1ccc(-c2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000002120301 567844909 /nfs/dbraw/zinc/84/49/09/567844909.db2.gz MPBMZIMEPJQBHB-UHFFFAOYSA-N 0 0 261.368 5.070 50 10 CKCARN CCCCCC[C@@H](CCCC)COc1ccc(N)cc1 ZINC000002165117 566912610 /nfs/dbraw/zinc/91/26/10/566912610.db2.gz HTEJOYJLXZBZGD-MRXNPFEDSA-N 0 0 277.452 5.424 50 10 CKCARN CCCCCC[C@H](CCCC)COc1ccc(N)cc1 ZINC000002165118 169778213 /nfs/dbraw/zinc/77/82/13/169778213.db2.gz HTEJOYJLXZBZGD-INIZCTEOSA-N 0 0 277.452 5.424 50 10 CKCARN Cc1ccc(C)n1-c1cccc2c(-c3ccccc3)ccnc21 ZINC000002267896 567073908 /nfs/dbraw/zinc/07/39/08/567073908.db2.gz NZUAEXCCAOMTIM-UHFFFAOYSA-N 0 0 298.389 5.309 50 10 CKCARN CC(C)(C)C1CCC2(CC1)Nc1cccc3cccc(c31)N2 ZINC000002297536 567845442 /nfs/dbraw/zinc/84/54/42/567845442.db2.gz NGTIGGLDTVHXJM-UHFFFAOYSA-N 0 0 294.442 5.610 50 10 CKCARN Fc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000002481625 567145321 /nfs/dbraw/zinc/14/53/21/567145321.db2.gz OIYHGTMRFWZLSX-JJRVBVJISA-N 0 0 299.776 5.306 50 10 CKCARN c1ccc(Nc2ccc(NC3CCCCC3)cc2)cc1 ZINC000002507992 570284684 /nfs/dbraw/zinc/28/46/84/570284684.db2.gz ZRMMVODKVLXCBB-UHFFFAOYSA-N 0 0 266.388 5.175 50 10 CKCARN Cc1cc2c(n1-c1ccc(C(C)C)cc1)CC(C)(C)CC2=O ZINC000002512812 169797854 /nfs/dbraw/zinc/79/78/54/169797854.db2.gz XLMYVHVPRBSNDI-UHFFFAOYSA-N 0 0 295.426 5.064 50 10 CKCARN CCCCCC[C@@H](C)Nc1ccc(Nc2ccccc2)cc1 ZINC000002522828 570215204 /nfs/dbraw/zinc/21/52/04/570215204.db2.gz JQTYAZKTBXWQOM-QGZVFWFLSA-N 0 0 296.458 6.201 50 10 CKCARN CN(C)c1ccc(/C=C/C=C/C=C/c2ccccc2)cc1 ZINC000002568342 567848307 /nfs/dbraw/zinc/84/83/07/567848307.db2.gz QNBRWGUCMQGGDA-YPXUENLVSA-N 0 0 275.395 5.035 50 10 CKCARN Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003159906 567938917 /nfs/dbraw/zinc/93/89/17/567938917.db2.gz RRKPBKXJONFPGS-UHFFFAOYSA-N 0 0 288.561 5.021 50 10 CKCARN CN(C)c1ccc(/C=C/c2ccc(-c3ccccc3)cc2)cc1 ZINC000003177477 567162394 /nfs/dbraw/zinc/16/23/94/567162394.db2.gz GHGSFPSGBWMHPI-CMDGGOBGSA-N 0 0 299.417 5.590 50 10 CKCARN CCCCOc1ccc(/N=N/c2ccc(CC)cc2)cc1 ZINC000003848676 567853915 /nfs/dbraw/zinc/85/39/15/567853915.db2.gz WERIMWLPEDSRPX-FMQUCBEESA-N 0 0 282.387 5.843 50 10 CKCARN CCCCc1ccc(/N=N/c2ccc(OC)cc2)cc1 ZINC000003848679 169916922 /nfs/dbraw/zinc/91/69/22/169916922.db2.gz QLNKXPFUPQGUDA-VHEBQXMUSA-N 0 0 268.360 5.453 50 10 CKCARN CCCCc1ccc(/N=N/c2ccc(OCCC)cc2)cc1 ZINC000003848680 567854001 /nfs/dbraw/zinc/85/40/01/567854001.db2.gz NFJLLYSEVCCFGP-QZQOTICOSA-N 0 0 296.414 6.233 50 10 CKCARN CCCCc1ccc(NN=C2C=CC(=O)C=C2Cl)cc1 ZINC000003848690 567854086 /nfs/dbraw/zinc/85/40/86/567854086.db2.gz CNWKDFLOHSHUOD-VHEBQXMUSA-N 0 0 288.778 5.804 50 10 CKCARN CCCCc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC000003848691 567853906 /nfs/dbraw/zinc/85/39/06/567853906.db2.gz FIWNTOUHYJJODB-ISLYRVAYSA-N 0 0 254.333 5.150 50 10 CKCARN Cc1ccc(NN=C2C(=O)C=Cc3ccccc32)c(C)c1 ZINC000003861451 567854382 /nfs/dbraw/zinc/85/43/82/567854382.db2.gz JBTHDAVBDKKSRW-FMQUCBEESA-N 0 0 276.339 5.578 50 10 in-vitro CKCARN c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000003876015 326808059 /nfs/dbraw/zinc/80/80/59/326808059.db2.gz KHPYJVQRBJJYSF-UHFFFAOYSA-N 0 0 280.330 5.089 50 10 CKCARN c1ccc2c(c1)ccc1nc3c(ccc4ccccc43)nc12 ZINC000003876021 567018253 /nfs/dbraw/zinc/01/82/53/567018253.db2.gz WPBGTHBSULHLRG-UHFFFAOYSA-N 0 0 280.330 5.089 50 10 CKCARN Cn1c2ccccc2nc1/N=N/c1cccc2ccccc21 ZINC000003876482 326807990 /nfs/dbraw/zinc/80/79/90/326807990.db2.gz FTUCRGPCELVNDU-QZQOTICOSA-N 0 0 286.338 5.142 50 10 CKCARN Nc1ccc2ccccc2c1/N=N/c1ccccc1Cl ZINC000003880682 567854153 /nfs/dbraw/zinc/85/41/53/567854153.db2.gz HAYKTOHJWWAIGF-FMQUCBEESA-N 0 0 281.746 5.491 50 10 CKCARN Nc1ccc2cc3ccccc3cc2c1/N=N/c1ccccc1 ZINC000003899442 534737899 /nfs/dbraw/zinc/73/78/99/534737899.db2.gz RGUQXXLWERNLFL-GHVJWSGMSA-N 0 0 297.361 5.991 50 10 CKCARN Clc1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21 ZINC000004003761 567182517 /nfs/dbraw/zinc/18/25/17/567182517.db2.gz VKLOEKYWXCWIBZ-XAYKYTGQSA-N 0 0 281.786 5.167 50 10 CKCARN Fc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000004110496 567187759 /nfs/dbraw/zinc/18/77/59/567187759.db2.gz OIYHGTMRFWZLSX-GRDNDAEWSA-N 0 0 299.776 5.306 50 10 CKCARN Clc1cccc(/N=N/c2ccccc2Cl)c1 ZINC000004127758 567855420 /nfs/dbraw/zinc/85/54/20/567855420.db2.gz CAGZFDUVHBQWBO-FOCLMDBBSA-N 0 0 251.116 5.409 50 10 CKCARN c1ccc(/N=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000004138679 169937171 /nfs/dbraw/zinc/93/71/71/169937171.db2.gz LWCWIHGNMUNHLX-QURGRASLSA-N 0 0 299.377 5.622 50 10 CKCARN Fc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004155576 566862940 /nfs/dbraw/zinc/86/29/40/566862940.db2.gz AHDBIRAJXUWVRI-MPGHIAIKSA-N 0 0 299.776 5.306 50 10 CKCARN Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004156815 567855815 /nfs/dbraw/zinc/85/58/15/567855815.db2.gz COHMVEZBHSOLFC-DAYGRLMNSA-N 0 0 299.776 5.306 50 10 CKCARN Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000004156816 567855951 /nfs/dbraw/zinc/85/59/51/567855951.db2.gz COHMVEZBHSOLFC-RLFYNMQTSA-N 0 0 299.776 5.306 50 10 CKCARN Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000004156818 567855970 /nfs/dbraw/zinc/85/59/70/567855970.db2.gz COHMVEZBHSOLFC-MPGHIAIKSA-N 0 0 299.776 5.306 50 10 CKCARN Fc1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004156829 567855975 /nfs/dbraw/zinc/85/59/75/567855975.db2.gz DQHRCIFCYYPLIS-GRDNDAEWSA-N 0 0 299.776 5.306 50 10 CKCARN Fc1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004156830 567855998 /nfs/dbraw/zinc/85/59/98/567855998.db2.gz DQHRCIFCYYPLIS-ZQIUZPCESA-N 0 0 299.776 5.306 50 10 CKCARN Fc1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000004156833 169939227 /nfs/dbraw/zinc/93/92/27/169939227.db2.gz DQHRCIFCYYPLIS-VBQJREDUSA-N 0 0 299.776 5.306 50 10 CKCARN CC(=O)n1cc(/N=N/c2ccc(Cl)cc2)c2ccccc21 ZINC000004170746 169940556 /nfs/dbraw/zinc/94/05/56/169940556.db2.gz OVUDTTOAROPZEN-VHEBQXMUSA-N 0 0 297.745 5.370 50 10 CKCARN Cc1noc(C)c1/N=N/c1cc(Cl)cc(Cl)c1 ZINC000004299974 567856785 /nfs/dbraw/zinc/85/67/85/567856785.db2.gz BPZACUGOPMLPIJ-CCEZHUSRSA-N 0 0 270.119 5.014 50 10 CKCARN Cc1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1N ZINC000004300432 567856758 /nfs/dbraw/zinc/85/67/58/567856758.db2.gz ULEZQVYLHILFGZ-FMQUCBEESA-N 0 0 279.265 5.011 50 10 CKCARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000004321219 184531649 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