smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(/C=[NH+]/N(c2ccccc2)c2ccccc2)c([O-])c1	ZINC000004867024	520881595	/nfs/dbraw/zinc/88/15/95/520881595.db2.gz	DFRVZIVYWKYYEV-HKOYGPOVSA-N	0	3	359.473	5.411	1	30		FKEFHN
CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(O)c1	ZINC000004867024	520881583	/nfs/dbraw/zinc/88/15/83/520881583.db2.gz	DFRVZIVYWKYYEV-HKOYGPOVSA-N	0	3	359.473	5.411	1	30		FKEFHN
C=CCN1CCN([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1	ZINC000028760608	210165524	/nfs/dbraw/zinc/16/55/24/210165524.db2.gz	UIJGDDLZLPAKPR-AREMUKBSSA-N	0	3	368.524	5.247	1	30		FKEFHN
CCCCCCCCCOC(=O)[C@@H]1CN(CC)CC=C1c1ccccc1	ZINC000034802091	208110877	/nfs/dbraw/zinc/11/08/77/208110877.db2.gz	LOZFSJRXJHXNTK-JOCHJYFZSA-N	0	3	357.538	5.316	1	30		FKEFHN
CCCCCCCCCCOC(=O)[C@H]1CN(CC)CC=C1c1ccccc1	ZINC000034802096	208110536	/nfs/dbraw/zinc/11/05/36/208110536.db2.gz	RNRYJWQFMOEPCM-QHCPKHFHSA-N	0	3	371.565	5.706	1	30		FKEFHN
CCCCCCCc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000038153024	208197885	/nfs/dbraw/zinc/19/78/85/208197885.db2.gz	WJHCVNOETGMLHQ-UHFFFAOYSA-N	0	3	368.524	7.645	1	30		FKEFHN
CC(=O)C1=C(C)Nc2cc(Cl)ccc2SC1c1ccc([N+](=O)[O-])cc1	ZINC000043013819	205098972	/nfs/dbraw/zinc/09/89/72/205098972.db2.gz	NJDAOEIBUPRIKB-GOSISDBHSA-N	0	3	374.849	5.370	1	30		FKEFHN
C=CCn1c2nc(N(C)C)cc(N)c2c(-c2ccccc2)c1-c1ccccc1	ZINC000043014407	206661526	/nfs/dbraw/zinc/66/15/26/206661526.db2.gz	FINVHDMSDASWIP-UHFFFAOYSA-N	0	3	368.484	5.205	1	30		FKEFHN
CC(=O)C1=C(C)Nc2cc(Cl)ccc2SC1c1ccccc1Cl	ZINC000043061308	208299910	/nfs/dbraw/zinc/29/99/10/208299910.db2.gz	ZZUXLHDXWMUKBX-GOSISDBHSA-N	0	3	364.297	6.115	1	30		FKEFHN
C[C@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000043064455	208301513	/nfs/dbraw/zinc/30/15/13/208301513.db2.gz	YNCUBWWVYADNTK-KKZXPTJSSA-N	0	3	370.496	5.671	1	30		FKEFHN
CC(=O)C1=C(C)Nc2ccccc2SC1c1ccc(Cl)cc1Cl	ZINC000043121209	205101172	/nfs/dbraw/zinc/10/11/72/205101172.db2.gz	RPUCTVBVBNQBEK-SFHVURJKSA-N	0	3	364.297	6.115	1	30		FKEFHN
C[C@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000058655366	205276872	/nfs/dbraw/zinc/27/68/72/205276872.db2.gz	YNCUBWWVYADNTK-NXMVVPIOSA-N	0	3	370.496	5.671	1	30		FKEFHN
CCCCCCCCCCCCCCn1c(N)ncc1-c1ccccc1	ZINC000066112469	205363581	/nfs/dbraw/zinc/36/35/81/205363581.db2.gz	HIZMUQYBHNKJPE-UHFFFAOYSA-N	0	3	355.570	6.833	1	30		FKEFHN
CCCCCCCCCn1c(N)ncc1-c1ccc(-c2ccccc2)cc1	ZINC000066113379	221241966	/nfs/dbraw/zinc/24/19/66/221241966.db2.gz	MYQHKXHSIXCGHM-UHFFFAOYSA-N	0	3	361.533	6.550	1	30		FKEFHN
CCCCCCCCc1ccc(-c2cccc(N3CCNCC3)n2)cc1	ZINC000073198822	534986250	/nfs/dbraw/zinc/98/62/50/534986250.db2.gz	JNVAVFCWJLIDCC-UHFFFAOYSA-N	0	3	351.538	5.061	1	30		FKEFHN
C=C(C)[C@@H]1CC[C@@]2(C)CC(C34C=C[C@H]5CC[C@@H](C=C3)C5(C)N4)=CC(C)=C2C1	ZINC000085550139	291085599	/nfs/dbraw/zinc/08/55/99/291085599.db2.gz	BXGIBPZRFLGZCR-TVRSJJTGSA-N	0	3	361.573	6.268	1	30	biogenic,in-vitro	FKEFHN
C[C@@H]1/C(=N/N=C/c2ccco2)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000103296591	222334280	/nfs/dbraw/zinc/33/42/80/222334280.db2.gz	JDHQHTPTHOGYCV-UUEBBXDYSA-N	0	3	357.457	5.167	1	30		FKEFHN
CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1ccccc1C)N[C@@H]2c1ccccc1C	ZINC000169320363	206249912	/nfs/dbraw/zinc/24/99/12/206249912.db2.gz	HVSOWXGRFNTGEQ-IKAJFEDTSA-N	0	3	362.517	5.498	1	30		FKEFHN